2-cyclopentyl-1-{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}ethan-1-one
Chemical Structure Depiction of
2-cyclopentyl-1-{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}ethan-1-one
2-cyclopentyl-1-{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}ethan-1-one
Compound characteristics
| Compound ID: | L886-0055 |
| Compound Name: | 2-cyclopentyl-1-{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}ethan-1-one |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C19 H28 N6 O S |
| Smiles: | CCSc1nnc(c2c3CN(CCc3n(C)n2)C(CC2CCCC2)=O)n1C |
| Stereo: | ACHIRAL |
| logP: | 1.9625 |
| logD: | 1.9382 |
| logSw: | -2.0975 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 56.681 |
| InChI Key: | KMXPPEFFKAYNJU-UHFFFAOYSA-N |