4-{4-methoxy-3-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-{4-methoxy-3-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-{4-methoxy-3-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | J081-1252 |
| Compound Name: | 4-{4-methoxy-3-[(prop-2-yn-1-yl)oxy]phenyl}-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 480.53 |
| Molecular Formula: | C27 H24 N6 O3 |
| Smiles: | Cc1ccc(cc1)c1cnnc(n1)n1c2c(C(CC(N2)=O)c2ccc(c(c2)OCC#C)OC)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4727 |
| logD: | 3.4722 |
| logSw: | -3.5965 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.51 |
| InChI Key: | SHQVLJPBWMZCCB-FQEVSTJZSA-N |