N-{2-[rel-(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Chemical Structure Depiction of
N-{2-[rel-(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
N-{2-[rel-(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide
Compound characteristics
| Compound ID: | SD16-0755 |
| Compound Name: | N-{2-[rel-(5aR,8aR)-7-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}acetamide |
| Molecular Weight: | 382.51 |
| Molecular Formula: | C21 H30 N6 O |
| Smiles: | CC(Nc1cccnc1N1CCCC[C@@H]2CN(Cc3cnn(C)c3C)C[C@H]12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8724 |
| logD: | -2.844 |
| logSw: | -1.8389 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.036 |
| InChI Key: | PEIARKOAQRQZKW-XLIONFOSSA-N |