N-{6-[rel-(5aR,8aR)-7-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Chemical Structure Depiction of
N-{6-[rel-(5aR,8aR)-7-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
N-{6-[rel-(5aR,8aR)-7-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide
Compound characteristics
| Compound ID: | SD16-0912 |
| Compound Name: | N-{6-[rel-(5aR,8aR)-7-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}-2-methylpropanamide |
| Molecular Weight: | 438.62 |
| Molecular Formula: | C25 H38 N6 O |
| Smiles: | CCn1c(C)c(CN2C[C@H]3CCCCN(c4ccc(cn4)NC(C(C)C)=O)[C@H]3C2)c(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.1936 |
| logD: | -1.157 |
| logSw: | -3.0564 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.247 |
| InChI Key: | AJTZGRHKCMHYGO-OFNKIYASSA-N |