1-[rel-(3aR,7aR)-5-(6-methylpyridine-3-carbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aR)-5-(6-methylpyridine-3-carbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
1-[rel-(3aR,7aR)-5-(6-methylpyridine-3-carbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one
Compound characteristics
| Compound ID: | SB23-0477 |
| Compound Name: | 1-[rel-(3aR,7aR)-5-(6-methylpyridine-3-carbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]ethan-1-one |
| Molecular Weight: | 368.44 |
| Molecular Formula: | C19 H24 N6 O2 |
| Smiles: | CC(N1C[C@H]2CN(CC[C@]2(C1)c1nc(C)n[nH]1)C(c1ccc(C)nc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1646 |
| logD: | 0.164 |
| logSw: | -1.6926 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.511 |
| InChI Key: | IKMCKUNUJBHIOA-VQIMIIECSA-N |