3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Chemical Structure Depiction of
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one
Compound characteristics
| Compound ID: | SB47-0677 |
| Compound Name: | 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[rel-(3aR,6aR)-3a-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(pyridine-3-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]propan-1-one |
| Molecular Weight: | 448.53 |
| Molecular Formula: | C23 H28 N8 O2 |
| Smiles: | Cc1cc(C)n(CCC(N2C[C@@H]3CN(C[C@@]3(C2)c2nc(C)n[nH]2)C(c2cccnc2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | -0.7023 |
| logD: | -0.7029 |
| logSw: | -1.1131 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.103 |
| InChI Key: | UGFSXSBGCDAYOK-XXBNENTESA-N |