N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
Chemical Structure Depiction of
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
Compound characteristics
| Compound ID: | S639-1541 |
| Compound Name: | N-{rel-(3R,4S)-4-[(dimethylamino)methyl]-1-[(pyridin-4-yl)methyl]pyrrolidin-3-yl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C21 H32 N6 O |
| Smiles: | Cc1cc(C)n(CCC(N[C@@H]2CN(Cc3ccncc3)C[C@H]2CN(C)C)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.3817 |
| logD: | -2.5059 |
| logSw: | -1.3764 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.628 |
| InChI Key: | UBDBEWKYQCJMMD-PMACEKPBSA-N |