4-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}benzonitrile
Chemical Structure Depiction of
4-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}benzonitrile
4-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}benzonitrile
Compound characteristics
| Compound ID: | L886-0365 |
| Compound Name: | 4-{3-[4-ethyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}benzonitrile |
| Molecular Weight: | 407.5 |
| Molecular Formula: | C20 H21 N7 O S |
| Smiles: | CCn1c(c2c3CN(CCc3n(C)n2)C(c2ccc(C#N)cc2)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 1.3953 |
| logD: | 1.3571 |
| logSw: | -2.13 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 72.621 |
| InChI Key: | SXHIIXFZQQZAFM-UHFFFAOYSA-N |