2-(azepan-1-yl)-1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
2-(azepan-1-yl)-1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
2-(azepan-1-yl)-1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S565-1180 |
| Compound Name: | 2-(azepan-1-yl)-1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 419.53 |
| Molecular Formula: | C23 H29 N7 O |
| Smiles: | Cn1c2CCN(Cc2c(c2nncn2c2ccccc2)n1)C(CN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4119 |
| logD: | 1.3326 |
| logSw: | -1.8727 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.918 |
| InChI Key: | QYSGPDVYOFANMU-UHFFFAOYSA-N |