1-{3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-methylpropan-1-one
1-{3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | S905-0876 |
| Compound Name: | 1-{3-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]-5,6,8,9-tetrahydro-7H-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl}-2-methylpropan-1-one |
| Molecular Weight: | 413.52 |
| Molecular Formula: | C21 H31 N7 O2 |
| Smiles: | CC(C)C(N1CCc2nnc(C3CCN(CC3)C(c3cc(C)n(C)n3)=O)n2CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2836 |
| logD: | 0.2815 |
| logSw: | -0.7251 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 73.125 |
| InChI Key: | DWABJVHWYHIAHX-UHFFFAOYSA-N |