TL;DR: Pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-3-carboxylic acid, 6,7-dihydro-7-(2-amino-2-oxoethyl)-6-oxo-, ethyl ester (CAS 148191-52-0) is a chemical compound with molecular formula C14H13N5O4 and molecular weight 315.09674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 11-(2-amino-2-oxoethyl)-10-oxo-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaene-5-carboxylate
Also Known As: Pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-3-carboxylic acid, 6,7-dihydro-7-(2-amino-2-oxoethyl)-6-oxo-, ethyl ester, Pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-3-carboxylic acid, 7-(2-amino-2-oxoethyl)-6,7-dihydro-6-oxo-, ethyl ester, Ethyl 7-(2-amino-2-oxoethyl)-6-oxo-6,7-dihydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidine-3-carboxylate
| Molecular Formula | C14H13N5O4 |
| Molecular Weight | 315.09674 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.09674 Da |
| Heavy Atoms | 23 |
| Complexity | 551.0 |
| SMILES | CCOC(=O)C1=C2N=CC3=C(N2N=C1)C=CN(C3=O)CC(=O)N |
| InChIKey | DGQAMMOXYJUFMT-UHFFFAOYSA-N |
The XLogP value of -0.9 indicates that Pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-3-carboxylic acid, 6,7-dihydro-7-(2-amino-2-oxoethyl)-6-oxo-, ethyl ester is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-3-carboxylic acid, 6,7-dihydro-7-(2-amino-2-oxoethyl)-6-oxo-, ethyl ester. Following Lipinski's Rule of Five, Pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-3-carboxylic acid, 6,7-dihydro-7-(2-amino-2-oxoethyl)-6-oxo-, ethyl ester has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-3-carboxylic acid, 6,7-dihydro-7-(2-amino-2-oxoethyl)-6-oxo-, ethyl ester is 148191-52-0.
The molecular formula of Pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-3-carboxylic acid, 6,7-dihydro-7-(2-amino-2-oxoethyl)-6-oxo-, ethyl ester is C14H13N5O4.
The molecular weight of Pyrazolo(1,5-a)pyrido(3,4-e)pyrimidine-3-carboxylic acid, 6,7-dihydro-7-(2-amino-2-oxoethyl)-6-oxo-, ethyl ester is 315.09674 g/mol.
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