2-methyl-1-{rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}propan-1-one
Chemical Structure Depiction of
2-methyl-1-{rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}propan-1-one
2-methyl-1-{rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}propan-1-one
Compound characteristics
| Compound ID: | S839-0065 |
| Compound Name: | 2-methyl-1-{rel-(3aR,7aS)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}propan-1-one |
| Molecular Weight: | 369.47 |
| Molecular Formula: | C20 H27 N5 O2 |
| Smiles: | CC(C)C(N1C[C@@H]2CCN(Cc3cccnc3)C[C@@]2(C1)c1nc(C)no1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2793 |
| logD: | 0.3874 |
| logSw: | -0.9196 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.594 |
| InChI Key: | NCNOACLTSYAJGQ-FXAWDEMLSA-N |