1-{rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(pyridin-3-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(pyridin-3-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
1-{rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(pyridin-3-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Compound characteristics
| Compound ID: | S839-0116 |
| Compound Name: | 1-{rel-(3aR,7aR)-3a-(3-methyl-1,2,4-oxadiazol-5-yl)-2-[(pyridin-3-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one |
| Molecular Weight: | 341.41 |
| Molecular Formula: | C18 H23 N5 O2 |
| Smiles: | CC(N1CC[C@H]2CN(Cc3cccnc3)C[C@]2(C1)c1nc(C)no1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.3917 |
| logD: | -1.8195 |
| logSw: | -0.5622 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 62.062 |
| InChI Key: | SZXQKXJJMJTQBU-AEFFLSMTSA-N |