1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-{3-[(prop-2-yn-1-yl)oxy]phenyl}-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]-3-methyl-4-{3-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-{3-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-1165 |
| Compound Name: | 1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-4-{3-[(prop-2-yn-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 454.46 |
| Molecular Formula: | C25 H19 F N6 O2 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccc(cc2)F)n1)=O)c1cccc(c1)OCC#C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5279 |
| logD: | 3.5273 |
| logSw: | -3.6865 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.793 |
| InChI Key: | PMQAIEMBLRIUNF-FQEVSTJZSA-N |