N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide
Chemical Structure Depiction of
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide
N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide
Compound characteristics
| Compound ID: | S639-0591 |
| Compound Name: | N-[rel-(3R,4S)-4-[(dimethylamino)methyl]-1-(pyrimidin-4-yl)pyrrolidin-3-yl]-1H-indole-4-carboxamide |
| Molecular Weight: | 364.45 |
| Molecular Formula: | C20 H24 N6 O |
| Smiles: | CN(C)C[C@@H]1CN(C[C@H]1NC(c1cccc2c1cc[nH]2)=O)c1ccncn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7967 |
| logD: | -0.3419 |
| logSw: | -2.1869 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.583 |
| InChI Key: | QYEBBXFQBRIOQH-KSSFIOAISA-N |