cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Chemical Structure Depiction of
cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone
Compound characteristics
| Compound ID: | S858-1460 |
| Compound Name: | cyclopropyl{rel-(3aR,7aS)-3a-(hydroxymethyl)-5-[(pyridin-3-yl)methyl]octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl}methanone |
| Molecular Weight: | 315.41 |
| Molecular Formula: | C18 H25 N3 O2 |
| Smiles: | C1CC1C(N1C[C@@H]2CCN(Cc3cccnc3)C[C@@]2(C1)CO)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.442 |
| logD: | -0.7709 |
| logSw: | -0.4375 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.67 |
| InChI Key: | RZUPCQZZBDPUGD-SJLPKXTDSA-N |