TL;DR: 5H-Pyridazino(4,5-b)indole, 7,8-dimethoxy-4-(3,5-dimethyl-1H-pyrazol-1-yl)- (CAS 121638-67-3) is a chemical compound with molecular formula C17H17N5O2 and molecular weight 323.1382 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole
Also Known As: 5H-Pyridazino(4,5-b)indole, 7,8-dimethoxy-4-(3,5-dimethyl-1H-pyrazol-1-yl)-, 4-(3,5-Dimethylpyrazol-1-yl)-8,9-dimethoxy-11H-pyridazino(4,5-b)indole, 7,8-Dimethoxy-4-(3,5-dimethyl-1H-pyrazol-1-yl)-5H-pyridazino(4,5-b)indole, 4-(3,5-dimethylpyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole, 4-(3,5-Dimethyl-1H-pyrazol-1-yl)-7,8-dimethoxy-5H-pyridazino[4,5-b]indole
| Molecular Formula | C17H17N5O2 |
| Molecular Weight | 323.1382 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 77.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.1382 Da |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
| SMILES | CC1=CC(=NN1C2=C3C(=CN=N2)C4=CC(=C(C=C4N3)OC)OC)C |
| InChIKey | WERBZNIGUCHJMW-UHFFFAOYSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-Pyridazino(4,5-b)indole, 7,8-dimethoxy-4-(3,5-dimethyl-1H-pyrazol-1-yl)-. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-Pyridazino(4,5-b)indole, 7,8-dimethoxy-4-(3,5-dimethyl-1H-pyrazol-1-yl)-. Following Lipinski's Rule of Five, 5H-Pyridazino(4,5-b)indole, 7,8-dimethoxy-4-(3,5-dimethyl-1H-pyrazol-1-yl)- has 1 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 5H-Pyridazino(4,5-b)indole, 7,8-dimethoxy-4-(3,5-dimethyl-1H-pyrazol-1-yl)- is 121638-67-3.
The molecular formula of 5H-Pyridazino(4,5-b)indole, 7,8-dimethoxy-4-(3,5-dimethyl-1H-pyrazol-1-yl)- is C17H17N5O2.
The molecular weight of 5H-Pyridazino(4,5-b)indole, 7,8-dimethoxy-4-(3,5-dimethyl-1H-pyrazol-1-yl)- is 323.1382 g/mol.
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