4-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
4-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-7149 |
| Compound Name: | 4-{1-[(4-chlorophenyl)methyl]-1H-pyrazol-4-yl}-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 476.99 |
| Molecular Formula: | C23 H21 Cl N8 S |
| Smiles: | Cc1c2c(cc(C3CC3)nc2n(C)n1)c1nnc(n1c1cnn(Cc2ccc(cc2)[Cl])c1)S |
| Stereo: | ACHIRAL |
| logP: | 3.5961 |
| logD: | 2.3645 |
| logSw: | -3.9884 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.032 |
| InChI Key: | WAQYTQBPQIKGGI-UHFFFAOYSA-N |