4-(2-bromo-5-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
4-(2-bromo-5-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
4-(2-bromo-5-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-0948 |
| Compound Name: | 4-(2-bromo-5-methoxyphenyl)-3-methyl-1-(5-phenyl-1,2,4-triazin-3-yl)-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 491.35 |
| Molecular Formula: | C23 H19 Br N6 O2 |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccccc2)n1)=O)c1cc(ccc1[Br])OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.061 |
| logD: | 4.0606 |
| logSw: | -4.1737 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.919 |
| InChI Key: | KBMCHIKPDFHRGF-QGZVFWFLSA-N |