3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}propan-1-one
Compound characteristics
| Compound ID: | S903-0848 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{3-[1-(propane-2-sulfonyl)piperidin-4-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}propan-1-one |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C21 H33 N7 O3 S |
| Smiles: | CC(C)S(N1CCC(CC1)c1nnc2CN(CCn12)C(CCn1c(C)cc(C)n1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1128 |
| logD: | -0.1131 |
| logSw: | -1.4113 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 86.762 |
| InChI Key: | OHTFQTFYSIMQQI-UHFFFAOYSA-N |