2-(azepan-1-yl)-1-[3-(4-benzyl-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-(azepan-1-yl)-1-[3-(4-benzyl-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-(azepan-1-yl)-1-[3-(4-benzyl-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: | S565-1064 |
| Compound Name: | 2-(azepan-1-yl)-1-[3-(4-benzyl-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: | 433.56 |
| Molecular Formula: | C24 H31 N7 O |
| Smiles: | Cn1c2CCN(Cc2c(c2nncn2Cc2ccccc2)n1)C(CN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4369 |
| logD: | 1.3576 |
| logSw: | -1.6394 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.459 |
| InChI Key: | XGNUGINNIGNYIM-UHFFFAOYSA-N |