![1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide structure](/static/products/116/1164537-91-0.png)
1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
TL;DR: 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CAS 1164537-91-0) is a chemical compound with molecular formula C23H26N6O5S and molecular weight 498.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(E)-2-cyano-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
Also Known As: 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide, (E)-1-(3-(2-cyano-3-((1,1-dioxidotetrahydrothiophen-3-yl)amino)-3-oxoprop-1-en-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide, 1-(3-{(1E)-2-[N-(1,1-dioxothiolan-3-yl)carbamoyl]-2-cyanovinyl}-9-methyl-4-oxo -5-hydropyridino[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide, 1-[3-[(E)-2-cyano-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide, 1-{3-[(E)-2-Cyano-2-(1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ylcarbamoyl)-vinyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-piperidine-4-carboxylic acid amide
| Molecular Formula | C23H26N6O5S |
|---|---|
| Molecular Weight | 498.17 g/mol |
| LogP | -0.0851 |
| Topological Polar Surface Area | 167.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 498.16855 |
| Heavy Atoms | 35 |
| Complexity | 1430.7966 |
Chemical Identifiers
| CAS Number | 1164537-91-0 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C(=O)NC3CCS(=O)(=O)C3)N4CCC(CC4)C(=O)N |
Product Overview
1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide (CAS 1164537-91-0), with molecular formula C23H26N6O5S and molecular weight 498.17 g/mol. IUPAC: 1-[3-[(E)-2-cyano-3-[(1,1-dioxothiolan-3-yl)amino]-3-oxoprop-1-enyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide.
Chemical Property Profile of 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
Property Insights of 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide
The XLogP value of -0.0851 indicates that 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.73 Ų indicates high polarity, suggesting 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The CAS number of 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is 1164537-91-0.
What is the molecular formula of 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The molecular formula of 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is C23H26N6O5S.
What is the molecular weight of 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
The molecular weight of 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide is 498.17 g/mol.
Where can I buy 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
You can request a quote for 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-{(1E)-2-cyano-3-[(1,1-dioxidotetrahydrothiophen-3-yl)amino]-3-oxoprop-1-en-1-yl}-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.