2-methyl-N-{6-[rel-(5aR,8aR)-7-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}propanamide
Chemical Structure Depiction of
2-methyl-N-{6-[rel-(5aR,8aR)-7-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}propanamide
2-methyl-N-{6-[rel-(5aR,8aR)-7-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}propanamide
Compound characteristics
| Compound ID: | SD16-0917 |
| Compound Name: | 2-methyl-N-{6-[rel-(5aR,8aR)-7-{[1-(propan-2-yl)-1H-pyrazol-4-yl]methyl}octahydropyrrolo[3,4-b]azepin-1(2H)-yl]pyridin-3-yl}propanamide |
| Molecular Weight: | 424.59 |
| Molecular Formula: | C24 H36 N6 O |
| Smiles: | CC(C)C(Nc1ccc(nc1)N1CCCC[C@@H]2CN(Cc3cnn(c3)C(C)C)C[C@H]12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2263 |
| logD: | -2.273 |
| logSw: | -3.2851 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.93 |
| InChI Key: | ZVRRXDWNPSMEAJ-IRLDBZIGSA-N |