4-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-1484 |
| Compound Name: | 4-{3-ethoxy-4-[(prop-2-yn-1-yl)oxy]phenyl}-1-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 498.52 |
| Molecular Formula: | C27 H23 F N6 O3 |
| Smiles: | CCOc1cc(ccc1OCC#C)C1CC(Nc2c1c(C)nn2c1nc(cnn1)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.424 |
| logD: | 3.4235 |
| logSw: | -3.5406 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.089 |
| InChI Key: | DOWBZAKEAFXYNE-FQEVSTJZSA-N |