1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione
Chemical Structure Depiction of
1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione
1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione
Compound characteristics
| Compound ID: | S565-1597 |
| Compound Name: | 1-[1-methyl-3-(4-phenyl-4H-1,2,4-triazol-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-4-(3-oxo-3,4-dihydroquinoxalin-1(2H)-yl)butane-1,4-dione |
| Molecular Weight: | 510.56 |
| Molecular Formula: | C27 H26 N8 O3 |
| Smiles: | Cn1c2CCN(Cc2c(c2nncn2c2ccccc2)n1)C(CCC(N1CC(Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7286 |
| logD: | 0.7262 |
| logSw: | -2.0751 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.473 |
| InChI Key: | PGNCOMCYMHVUMN-UHFFFAOYSA-N |