2-(azepan-1-yl)-1-[1-methyl-3-(4-methyl-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-methyl-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-methyl-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: | S565-0458 |
| Compound Name: | 2-(azepan-1-yl)-1-[1-methyl-3-(4-methyl-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: | 357.46 |
| Molecular Formula: | C18 H27 N7 O |
| Smiles: | Cn1cnnc1c1c2CN(CCc2n(C)n1)C(CN1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | -0.1008 |
| logD: | -0.1801 |
| logSw: | 0.1234 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.286 |
| InChI Key: | IUJCWZNCUCZGCB-UHFFFAOYSA-N |