1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-4-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-4-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-4-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-1124 |
| Compound Name: | 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-4-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 488.52 |
| Molecular Formula: | C26 H25 F N6 O3 |
| Smiles: | CC(C)Oc1ccc(cc1OC)C1CC(Nc2c1c(C)nn2c1nc(cnn1)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7895 |
| logD: | 3.789 |
| logSw: | -4.0149 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.895 |
| InChI Key: | CRSCMZCOYRUAEK-IBGZPJMESA-N |