1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB23-0573 |
| Compound Name: | 1-[rel-(3aR,7aR)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 354.41 |
| Molecular Formula: | C18 H22 N6 O2 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)C(c1cccnc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.4719 |
| logD: | -0.4724 |
| logSw: | -0.8227 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.085 |
| InChI Key: | HSXRAAJIVLANCO-CRAIPNDOSA-N |