![6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide structure](/static/products/848/848279-99-2.png)
6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
TL;DR: 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 848279-99-2) is a chemical compound with molecular formula C22H22N6O2 and molecular weight 402.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-11-methyl-2-oxo-N-propan-2-yl-7-(pyridin-4-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-imino-10-methyl-5-oxo-N-(propan-2-yl)-1-(pyridin-4-ylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-imino-N-isopropyl-10-methyl-5-oxo-1-(pyridin-4-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C22H22N6O2 |
|---|---|
| Molecular Weight | 402.18 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 402.18042 |
| Heavy Atoms | 30 |
| Complexity | 947.0 |
Chemical Identifiers
| CAS Number | 848279-99-2 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CC4=CC=NC=C4)C(=O)NC(C)C |
| InChIKey | HKZHFCQAUFSCMS-UHFFFAOYSA-N |
Product Overview
6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide (CAS 848279-99-2), with molecular formula C22H22N6O2 and molecular weight 402.18 g/mol. IUPAC: 6-imino-11-methyl-2-oxo-N-propan-2-yl-7-(pyridin-4-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Property Insights of 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide. Following Lipinski's Rule of Five, 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-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 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The CAS number of 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 848279-99-2.
What is the molecular formula of 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The molecular formula of 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is C22H22N6O2.
What is the molecular weight of 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
The molecular weight of 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide is 402.18 g/mol.
Where can I buy 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
You can request a quote for 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-imino-11-methyl-2-oxo-N-(propan-2-yl)-7-[(pyridin-4-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.