cyclopropyl[rel-(3aR,7aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Chemical Structure Depiction of
cyclopropyl[rel-(3aR,7aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
cyclopropyl[rel-(3aR,7aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | SB23-0900 |
| Compound Name: | cyclopropyl[rel-(3aR,7aS)-5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C20 H28 N6 O2 |
| Smiles: | Cc1c(CN2CC[C@]3(CN(C[C@H]3C2)C(C2CC2)=O)c2nc(C)n[nH]2)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.266 |
| logD: | -1.676 |
| logSw: | -1.6553 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.473 |
| InChI Key: | JPRQTQCYJGREHH-OXJNMPFZSA-N |