1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(1-methyl-1H-indazole-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Chemical Structure Depiction of
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(1-methyl-1H-indazole-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(1-methyl-1H-indazole-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one
Compound characteristics
| Compound ID: | S997-0338 |
| Compound Name: | 1-[rel-(3aR,7aS)-7a-(hydroxymethyl)-2-(1-methyl-1H-indazole-3-carbonyl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]ethan-1-one |
| Molecular Weight: | 356.42 |
| Molecular Formula: | C19 H24 N4 O3 |
| Smiles: | CC(N1CC[C@]2(CN(C[C@H]2C1)C(c1c2ccccc2n(C)n1)=O)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1703 |
| logD: | 0.1703 |
| logSw: | -1.4234 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.82 |
| InChI Key: | MPHHXQKQPRVNTL-AUUYWEPGSA-N |