TL;DR: 1-(3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid (CAS 1024732-03-3) is a chemical compound with molecular formula C25H25BrN4O3 and molecular weight 508.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Also Known As: 1-(3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-methoxyphenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid, 1-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
| Molecular Formula | C25H25BrN4O3 |
| Molecular Weight | 508.111 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 92.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.111 Da |
| Heavy Atoms | 33 |
| Complexity | 713.0 |
| SMILES | CC1=C(C(=NN1CC2=C(C=CC(=C2)C3C4=C(CC(N3)C(=O)O)C5=CC=CC=C5N4)OC)C)Br |
| InChIKey | FQINQIAMHUVWDG-UHFFFAOYSA-N |
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 1024732-03-3.
The molecular formula of 1-(3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is C25H25BrN4O3.
The molecular weight of 1-(3-((4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl)-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid is 508.111 g/mol.
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