TL;DR: 2-imino-N-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 847376-85-6) is a chemical compound with molecular formula C25H27N5O3 and molecular weight 445.2114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-imino-N-[2-(4-methoxyphenyl)ethyl]-11-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: 2-imino-N-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-imino-N~3~-(4-methoxyphenethyl)-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide, 2-imino-N-(4-methoxyphenethyl)-10-methyl-5-oxo-1-propyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C25H27N5O3 |
| Molecular Weight | 445.2114 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 98.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 445.2114 Da |
| Heavy Atoms | 33 |
| Complexity | 996.0 |
| SMILES | CCCN1C2=C(C=C(C1=N)C(=O)NCCC3=CC=C(C=C3)OC)C(=O)N4C=CC=C(C4=N2)C |
| InChIKey | CPNAXYIAUBGAEQ-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-imino-N-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide. The TPSA of 98.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-imino-N-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide. Following Lipinski's Rule of Five, 2-imino-N-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-1-propyl-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.
The CAS number of 2-imino-N-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 847376-85-6.
The molecular formula of 2-imino-N-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is C25H27N5O3.
The molecular weight of 2-imino-N-[2-(4-methoxyphenyl)ethyl]-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide is 445.2114 g/mol.
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