TL;DR: Ethyl 1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylate (CAS 119377-08-1) is a chemical compound with molecular formula C19H19N3O2 and molecular weight 321.14774 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
Also Known As: Ethyl 1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylate, 1H-Pyrido(3,4-b)indole-3-carboxylic acid, 2,3,4,9-tetrahydro-1-(3-pyridinyl)-, ethyl ester, 1-Methyl-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid, 1H-Pyrido[3,4-b]indole-3-carboxylicacid, 2,3,4,9-tetrahydro-1-(3-pyridinyl)-, ethyl ester, ethyl 1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
| Molecular Formula | C19H19N3O2 |
| Molecular Weight | 321.14774 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 67.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.14774 Da |
| Heavy Atoms | 24 |
| Complexity | 458.0 |
| SMILES | CCOC(=O)C1CC2=C(C(N1)C3=CN=CC=C3)NC4=CC=CC=C24 |
| InChIKey | ZFLNWCZNOYUZFZ-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylate. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethyl 1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylate is 119377-08-1.
The molecular formula of Ethyl 1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylate is C19H19N3O2.
The molecular weight of Ethyl 1-(3-pyridinyl)-2,3,4,9-tetrahydro-1H-pyrido(3,4-b)indole-3-carboxylate is 321.14774 g/mol.
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