4-(2-chlorophenyl)-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-(2-chlorophenyl)-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-(2-chlorophenyl)-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: | D361-1462 |
| Compound Name: | 4-(2-chlorophenyl)-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: | 434.86 |
| Molecular Formula: | C22 H16 Cl F N6 O |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccc(cc2)F)n1)=O)c1ccccc1[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9871 |
| logD: | 3.9867 |
| logSw: | -4.2921 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.375 |
| InChI Key: | LXCRZEMDILQPIY-MRXNPFEDSA-N |