3-cyclopentyl-1-{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}propan-1-one
Chemical Structure Depiction of
3-cyclopentyl-1-{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}propan-1-one
3-cyclopentyl-1-{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}propan-1-one
Compound characteristics
| Compound ID: | L886-0194 |
| Compound Name: | 3-cyclopentyl-1-{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}propan-1-one |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C19 H28 N6 O S |
| Smiles: | Cn1c(c2c3CN(CCc3n(C)n2)C(CCC2CCCC2)=O)nnc1SC |
| Stereo: | ACHIRAL |
| logP: | 1.7924 |
| logD: | 1.7802 |
| logSw: | -2.056 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.681 |
| InChI Key: | HWDADTMHMFHQHL-UHFFFAOYSA-N |