1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-1102 |
| Compound Name: | 1-[5-(3-methoxyphenyl)-1,2,4-triazin-3-yl]-3-methyl-4-{4-[(prop-2-en-1-yl)oxy]phenyl}-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C26 H24 N6 O3 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2cccc(c2)OC)n1)=O)c1ccc(cc1)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8157 |
| logD: | 3.8152 |
| logSw: | -4.0037 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.336 |
| InChI Key: | JBQLTEWTSPXXGJ-NRFANRHFSA-N |