![1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide structure](/static/products/893/893702-96-0.png)
1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
TL;DR: 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide (CAS 893702-96-0) is a chemical compound with molecular formula C25H19ClN6O2 and molecular weight 470.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-chlorophenyl)methyl]-6-imino-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 1-(4-CHLOROBENZYL)-2-IMINO-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE, 1-(4-chlorobenzyl)-2-imino-5-oxo-N-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-(4-chlorobenzyl)-2-imino-5-oxo-N-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C25H19ClN6O2 |
|---|---|
| Molecular Weight | 470.13 g/mol |
| LogP | 3.15537 |
| Topological Polar Surface Area | 105.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 470.1258 |
| Heavy Atoms | 34 |
| Complexity | 1642.8783 |
Chemical Identifiers
| CAS Number | 893702-96-0 |
|---|---|
| SMILES | C1=CC2=NC3=C(C=C(C(=N)N3CC4=CC=C(C=C4)Cl)C(=O)NCC5=CN=CC=C5)C(=O)N2C=C1 |
Product Overview
1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide (CAS 893702-96-0), with molecular formula C25H19ClN6O2 and molecular weight 470.13 g/mol. IUPAC: 7-[(4-chlorophenyl)methyl]-6-imino-2-oxo-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
Property Insights of 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
The XLogP value of 3.15537 indicates that 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-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 105.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide. Following Lipinski's Rule of Five, 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide has 2 hydrogen bond donor(s) and 5 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-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide?
The CAS number of 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide is 893702-96-0.
What is the molecular formula of 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide?
The molecular formula of 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide is C25H19ClN6O2.
What is the molecular weight of 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide?
The molecular weight of 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide is 470.13 g/mol.
Where can I buy 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide?
You can request a quote for 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-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 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorobenzyl)-2-imino-5-oxo-N~3~-(3-pyridylmethyl)-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.