3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-0778 |
| Compound Name: | 3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 454.53 |
| Molecular Formula: | C26 H26 N6 O2 |
| Smiles: | CC(C)Oc1ccccc1C1CC(Nc2c1c(C)nn2c1nc(cnn1)c1ccc(C)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5016 |
| logD: | 4.501 |
| logSw: | -4.2372 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.264 |
| InChI Key: | GTBZMTAIJBOOGN-FQEVSTJZSA-N |