[rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methylpyridin-3-yl)methanone
Chemical Structure Depiction of
[rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methylpyridin-3-yl)methanone
[rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methylpyridin-3-yl)methanone
Compound characteristics
| Compound ID: | SB23-0891 |
| Compound Name: | [rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](5-methylpyridin-3-yl)methanone |
| Molecular Weight: | 394.48 |
| Molecular Formula: | C21 H26 N6 O2 |
| Smiles: | Cc1cc(cnc1)C(N1CC[C@]2(CN(C[C@H]2C1)C(C1CC1)=O)c1nc(C)n[nH]1)=O |
| Stereo: | RELATIVE |
| logP: | 0.7846 |
| logD: | 0.784 |
| logSw: | -1.6056 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.958 |
| InChI Key: | NFXAZLHWNALNDH-DYESRHJHSA-N |