![1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide structure](/static/products/850/850157-34-5.png)
1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
TL;DR: 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide (CAS 850157-34-5) is a chemical compound with molecular formula C25H22N6O2S and molecular weight 470.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide
Also Known As: 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide, (E)-1-(3-(2-(benzo[d]thiazol-2-yl)-2-cyanovinyl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)piperidine-4-carboxamide, 1-[3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide, 1-{3-[(1E)-2-(1,3-BENZOTHIAZOL-2-YL)-2-CYANOETH-1-EN-1-YL]-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-2-YL}PIPERIDINE-4-CARBOXAMIDE
| Molecular Formula | C25H22N6O2S |
|---|---|
| Molecular Weight | 470.15 g/mol |
| LogP | 3.3785 |
| Topological Polar Surface Area | 117.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 470.1525 |
| Heavy Atoms | 34 |
| Complexity | 1520.4604 |
Chemical Identifiers
| CAS Number | 850157-34-5 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C(\C#N)/C3=NC4=CC=CC=C4S3)N5CCC(CC5)C(=O)N |
Product Overview
1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide (CAS 850157-34-5), with molecular formula C25H22N6O2S and molecular weight 470.15 g/mol. IUPAC: 1-[3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]piperidine-4-carboxamide.
Chemical Property Profile of 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
Property Insights of 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide
The XLogP value of 3.3785 indicates that 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.38 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide. Following Lipinski's Rule of Five, 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide has 1 hydrogen bond donor(s) and 7 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-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide?
The CAS number of 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide is 850157-34-5.
What is the molecular formula of 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide?
The molecular formula of 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide is C25H22N6O2S.
What is the molecular weight of 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide?
The molecular weight of 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide is 470.15 g/mol.
Where can I buy 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidine-4-carboxamide?
You can request a quote for 1-{3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-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-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-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-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]-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.