N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
TL;DR: N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 575463-22-8) is a chemical compound with molecular formula C27H29N5O4 and molecular weight 487.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopentyl-7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, N~3~-cyclopentyl-1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, {1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo(1,6-dihydropyridino[1,2-a]pyri dino[2,3-d]pyrimidin-3-yl)}-N-cyclopentylcarboxamide, N-cyclopentyl-1-(3,4-dimethoxyphenethyl)-2-imino-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C27H29N5O4 |
|---|---|
| Molecular Weight | 487.22 g/mol |
| LogP | 3.06097 |
| Topological Polar Surface Area | 110.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.22195 |
| Heavy Atoms | 36 |
| Complexity | 1566.7677 |
Chemical Identifiers
| CAS Number | 575463-22-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C3=C(C=C(C2=N)C(=O)NC4CCCC4)C(=O)N5C=CC=CC5=N3)OC |
Product Overview
N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 575463-22-8), with molecular formula C27H29N5O4 and molecular weight 487.22 g/mol. IUPAC: N-cyclopentyl-7-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
Property Insights of N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
The XLogP value of 3.06097 indicates that N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.71 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide. Following Lipinski's Rule of Five, N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide has 2 hydrogen bond donor(s) and 6 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 N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The CAS number of N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 575463-22-8.
What is the molecular formula of N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The molecular formula of N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is C27H29N5O4.
What is the molecular weight of N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
The molecular weight of N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 487.22 g/mol.
Where can I buy N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
You can request a quote for N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-cyclopentyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.