cyclopropyl{rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-[(pyridin-4-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Chemical Structure Depiction of
cyclopropyl{rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-[(pyridin-4-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
cyclopropyl{rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-[(pyridin-4-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Compound characteristics
| Compound ID: | SB23-0953 |
| Compound Name: | cyclopropyl{rel-(3aR,7aS)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-[(pyridin-4-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C20 H26 N6 O |
| Smiles: | Cc1nc([C@]23CCN(Cc4ccncc4)C[C@@H]3CN(C2)C(C2CC2)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7847 |
| logD: | 0.2963 |
| logSw: | -1.3051 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.863 |
| InChI Key: | RDGWKGNJFPIBBN-FXAWDEMLSA-N |