![{1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide structure](/static/products/844/844660-71-5.png)
{1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide
TL;DR: {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide (CAS 844660-71-5) is a chemical compound with molecular formula C26H21FN6O2 and molecular weight 468.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-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-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide, 1-(4-FLUOROBENZYL)-2-IMINO-10-METHYL-5-OXO-N-(3-PYRIDINYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE, 1-(4-fluorobenzyl)-2-imino-10-methyl-5-oxo-N-(pyridin-3-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 1-(4-fluorobenzyl)-2-imino-10-methyl-5-oxo-N-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C26H21FN6O2 |
|---|---|
| Molecular Weight | 468.17 g/mol |
| LogP | 2.94949 |
| Topological Polar Surface Area | 105.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 468.171 |
| Heavy Atoms | 35 |
| Complexity | 1692.1134 |
Chemical Identifiers
| CAS Number | 844660-71-5 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=C(C=C4)F)C(=O)NCC5=CN=CC=C5 |
Product Overview
{1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide (CAS 844660-71-5), with molecular formula C26H21FN6O2 and molecular weight 468.17 g/mol. IUPAC: 7-[(4-fluorophenyl)methyl]-6-imino-11-methyl-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-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide
Property Insights of {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide
The XLogP value of 2.94949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide. The TPSA of 105.14 Ų falls within the moderate polarity range, balancing permeability and solubility for {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide. Following Lipinski's Rule of Five, {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)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-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide?
The CAS number of {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide is 844660-71-5.
What is the molecular formula of {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide?
The molecular formula of {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide is C26H21FN6O2.
What is the molecular weight of {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide?
The molecular weight of {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide is 468.17 g/mol.
Where can I buy {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide?
You can request a quote for {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)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-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide?
Yes, KEHONG BIO provides custom synthesis services for {1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyridino[2,3-d] pyridino[1,2-a]pyrimidin-3-yl)}-N-(3-pyridylmethyl)carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.