{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}[2-(trifluoromethyl)phenyl]methanone
Chemical Structure Depiction of
{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}[2-(trifluoromethyl)phenyl]methanone
{1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}[2-(trifluoromethyl)phenyl]methanone
Compound characteristics
| Compound ID: | L886-0319 |
| Compound Name: | {1-methyl-3-[4-methyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}[2-(trifluoromethyl)phenyl]methanone |
| Molecular Weight: | 436.46 |
| Molecular Formula: | C19 H19 F3 N6 O S |
| Smiles: | Cn1c(c2c3CN(CCc3n(C)n2)C(c2ccccc2C(F)(F)F)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 1.7321 |
| logD: | 1.7199 |
| logSw: | -2.6267 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.65 |
| InChI Key: | XBYSFXHMYPXDGA-UHFFFAOYSA-N |