{3-[7-(cyclopropanecarbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}(isoquinolin-1-yl)methanone
Chemical Structure Depiction of
{3-[7-(cyclopropanecarbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}(isoquinolin-1-yl)methanone
{3-[7-(cyclopropanecarbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}(isoquinolin-1-yl)methanone
Compound characteristics
| Compound ID: | S585-0458 |
| Compound Name: | {3-[7-(cyclopropanecarbonyl)-5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]piperidin-1-yl}(isoquinolin-1-yl)methanone |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C24 H26 N6 O2 |
| Smiles: | C1CC(CN(C1)C(c1c2ccccc2ccn1)=O)c1nnc2CN(CCn12)C(C1CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4903 |
| logD: | 1.4903 |
| logSw: | -2.0923 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 67.973 |
| InChI Key: | KKUPDLKPIOEPAY-SFHVURJKSA-N |