[rel-(3aR,7aR)-2-(cyclopropanecarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl](1-ethyl-1H-pyrazol-5-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](1-ethyl-1H-pyrazol-5-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](1-ethyl-1H-pyrazol-5-yl)methanone
Compound characteristics
| Compound ID: | SB23-0901 |
| 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](1-ethyl-1H-pyrazol-5-yl)methanone |
| Molecular Weight: | 397.48 |
| Molecular Formula: | C20 H27 N7 O2 |
| Smiles: | CCn1c(ccn1)C(N1CC[C@]2(CN(C[C@H]2C1)C(C1CC1)=O)c1nc(C)n[nH]1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.4672 |
| logD: | 0.4668 |
| logSw: | -1.8543 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.44 |
| InChI Key: | WOWBFYQQIKQEOD-FOIQADDNSA-N |