1-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-phenoxyethan-1-one
Chemical Structure Depiction of
1-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-phenoxyethan-1-one
1-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-phenoxyethan-1-one
Compound characteristics
| Compound ID: | S565-0737 |
| Compound Name: | 1-{1-methyl-3-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-phenoxyethan-1-one |
| Molecular Weight: | 380.45 |
| Molecular Formula: | C20 H24 N6 O2 |
| Smiles: | CC(C)n1cnnc1c1c2CN(CCc2n(C)n1)C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9743 |
| logD: | 0.9226 |
| logSw: | -1.6278 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.686 |
| InChI Key: | YEJBDHUNSKITLO-UHFFFAOYSA-N |