4-{4-chloro-1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-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-{4-chloro-1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
4-{4-chloro-1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-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: | Y500-7152 |
| Compound Name: | 4-{4-chloro-1-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl}-5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 494.98 |
| Molecular Formula: | C23 H20 Cl F N8 S |
| Smiles: | Cc1c2c(cc(C3CC3)nc2n(C)n1)c1nnc(n1c1c(cn(Cc2ccc(cc2)F)n1)[Cl])S |
| Stereo: | ACHIRAL |
| logP: | 3.9405 |
| logD: | 2.2937 |
| logSw: | -4.3529 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.741 |
| InChI Key: | DBMQXAJYYYWMDX-UHFFFAOYSA-N |