4-{1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-{1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
4-{1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-1585 |
| Compound Name: | 4-{1-[(3-chlorophenyl)methyl]-1H-pyrazol-4-yl}-5-(1,3,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 450.95 |
| Molecular Formula: | C21 H19 Cl N8 S |
| Smiles: | Cc1cc(c2c(C)nn(C)c2n1)c1nnc(n1c1cnn(Cc2cccc(c2)[Cl])c1)S |
| Stereo: | ACHIRAL |
| logP: | 2.6532 |
| logD: | 1.4216 |
| logSw: | -3.4715 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.587 |
| InChI Key: | QVXFPSOFHWQFEZ-UHFFFAOYSA-N |