rel-(3aR,6aR)-N,N-dimethyl-2-[(4-methyl-1H-pyrazol-1-yl)acetyl]-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-N,N-dimethyl-2-[(4-methyl-1H-pyrazol-1-yl)acetyl]-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-N,N-dimethyl-2-[(4-methyl-1H-pyrazol-1-yl)acetyl]-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0402 |
| Compound Name: | rel-(3aR,6aR)-N,N-dimethyl-2-[(4-methyl-1H-pyrazol-1-yl)acetyl]-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 396.49 |
| Molecular Formula: | C21 H28 N6 O2 |
| Smiles: | Cc1cnn(CC(N2C[C@@H]3CN(Cc4cccnc4)C[C@@]3(C2)C(N(C)C)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.905 |
| logD: | -4.778 |
| logSw: | -0.3779 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.582 |
| InChI Key: | KWKZEYZCKGHLSB-RXVVDRJESA-N |