1-{rel-(3aR,7aR)-7a-(hydroxymethyl)-2-[(3-phenyl-1H-pyrazol-4-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Chemical Structure Depiction of
1-{rel-(3aR,7aR)-7a-(hydroxymethyl)-2-[(3-phenyl-1H-pyrazol-4-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
1-{rel-(3aR,7aR)-7a-(hydroxymethyl)-2-[(3-phenyl-1H-pyrazol-4-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one
Compound characteristics
| Compound ID: | S997-0366 |
| Compound Name: | 1-{rel-(3aR,7aR)-7a-(hydroxymethyl)-2-[(3-phenyl-1H-pyrazol-4-yl)methyl]octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl}ethan-1-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | CC(N1CC[C@]2(CN(Cc3c[nH]nc3c3ccccc3)C[C@H]2C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0084 |
| logD: | -4.1696 |
| logSw: | -1.7743 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.559 |
| InChI Key: | MNDUMBIIPAGDGK-UYAOXDASSA-N |