cyclopropyl[rel-(3aR,7aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Chemical Structure Depiction of
cyclopropyl[rel-(3aR,7aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
cyclopropyl[rel-(3aR,7aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone
Compound characteristics
| Compound ID: | S858-1333 |
| Compound Name: | cyclopropyl[rel-(3aR,7aS)-5-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-3a-(hydroxymethyl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]methanone |
| Molecular Weight: | 346.47 |
| Molecular Formula: | C19 H30 N4 O2 |
| Smiles: | CCn1c(C)c(CN2CC[C@H]3CN(C[C@]3(C2)CO)C(C2CC2)=O)cn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.695 |
| logD: | -5.5614 |
| logSw: | -0.4141 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.077 |
| InChI Key: | CBWUVMYGKGJZHD-IEBWSBKVSA-N |