4-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}benzonitrile
4-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | L886-0192 |
| Compound Name: | 4-{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}benzonitrile |
| Molecular Weight: | 393.47 |
| Molecular Formula: | C19 H19 N7 O S |
| Smiles: | Cn1c(c2c3CN(CCc3n(C)n2)C(c2ccc(C#N)cc2)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 0.7808 |
| logD: | 0.7687 |
| logSw: | -1.8534 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.706 |
| InChI Key: | JUWPSUODAKEVKR-UHFFFAOYSA-N |