1-{4-[7-(isoquinoline-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one
Chemical Structure Depiction of
1-{4-[7-(isoquinoline-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one
1-{4-[7-(isoquinoline-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one
Compound characteristics
| Compound ID: | S903-1352 |
| Compound Name: | 1-{4-[7-(isoquinoline-1-carbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}-3-methylbutan-1-one |
| Molecular Weight: | 446.55 |
| Molecular Formula: | C25 H30 N6 O2 |
| Smiles: | CC(C)CC(N1CCC(CC1)c1nnc2CN(CCn12)C(c1c2ccccc2ccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.963 |
| logD: | 1.9629 |
| logSw: | -2.5349 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.26 |
| InChI Key: | PWZDWBRDUGTMTH-UHFFFAOYSA-N |