TL;DR: (Z)-ethyl 1-isopropyl-10-methyl-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate (CAS 714936-15-9) is a chemical compound with molecular formula C25H23N5O6 and molecular weight 489.16483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 11-methyl-6-(2-nitrobenzoyl)imino-2-oxo-7-propan-2-yl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: (Z)-ethyl 1-isopropyl-10-methyl-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl (2Z)-10-methyl-2-{[(2-nitrophenyl)carbonyl]imino}-5-oxo-1-(propan-2-yl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate
| Molecular Formula | C25H23N5O6 |
| Molecular Weight | 489.16483 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.16483 Da |
| Heavy Atoms | 36 |
| Complexity | 1200.0 |
| SMILES | CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=NC(=O)C4=CC=CC=C4[N+](=O)[O-])C(C)C |
| InChIKey | NJUYUFAYZPWMDL-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that (Z)-ethyl 1-isopropyl-10-methyl-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-ethyl 1-isopropyl-10-methyl-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate. Following Lipinski's Rule of Five, (Z)-ethyl 1-isopropyl-10-methyl-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (Z)-ethyl 1-isopropyl-10-methyl-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 714936-15-9.
The molecular formula of (Z)-ethyl 1-isopropyl-10-methyl-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is C25H23N5O6.
The molecular weight of (Z)-ethyl 1-isopropyl-10-methyl-2-((2-nitrobenzoyl)imino)-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate is 489.16483 g/mol.
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