rel-(3aR,6aR)-2-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N,N-dimethyl-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Chemical Structure Depiction of
rel-(3aR,6aR)-2-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N,N-dimethyl-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
rel-(3aR,6aR)-2-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N,N-dimethyl-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | S984-0377 |
| Compound Name: | rel-(3aR,6aR)-2-[(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]-N,N-dimethyl-5-[(pyridin-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrole-3a(1H)-carboxamide |
| Molecular Weight: | 410.52 |
| Molecular Formula: | C22 H30 N6 O2 |
| Smiles: | Cc1cc(C)n(CC(N2C[C@@H]3CN(Cc4cccnc4)C[C@@]3(C2)C(N(C)C)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -1.1355 |
| logD: | -5.0085 |
| logSw: | -0.6716 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.812 |
| InChI Key: | LQCLEQPMEXONMD-UGKGYDQZSA-N |