{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4-fluorophenyl)methanone
Chemical Structure Depiction of
{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4-fluorophenyl)methanone
{3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4-fluorophenyl)methanone
Compound characteristics
| Compound ID: | L886-0138 |
| Compound Name: | {3-[5-(ethylsulfanyl)-4-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}(4-fluorophenyl)methanone |
| Molecular Weight: | 400.48 |
| Molecular Formula: | C19 H21 F N6 O S |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)C(c2ccc(cc2)F)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 1.5557 |
| logD: | 1.5315 |
| logSw: | -2.2587 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.65 |
| InChI Key: | KXQQIBJKQUFIMP-UHFFFAOYSA-N |