3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{4-[7-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{4-[7-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{4-[7-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one
Compound characteristics
| Compound ID: | S905-1047 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-{4-[7-(propan-2-yl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]piperidin-1-yl}propan-1-one |
| Molecular Weight: | 413.57 |
| Molecular Formula: | C22 H35 N7 O |
| Smiles: | CC(C)N1CCc2nnc(C3CCN(CC3)C(CCn3c(C)cc(C)n3)=O)n2CC1 |
| Stereo: | ACHIRAL |
| logP: | 0.3878 |
| logD: | -0.5846 |
| logSw: | -0.8803 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.233 |
| InChI Key: | CUAMXIZXUVZDJA-UHFFFAOYSA-N |