1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(2,5-difluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Chemical Structure Depiction of
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(2,5-difluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(2,5-difluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one
Compound characteristics
| Compound ID: | D361-1040 |
| Compound Name: | 1-[5-(4-chlorophenyl)-1,2,4-triazin-3-yl]-4-(2,5-difluorophenyl)-3-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one |
| Molecular Weight: | 452.85 |
| Molecular Formula: | C22 H15 Cl F2 N6 O |
| Smiles: | Cc1c2C(CC(Nc2n(c2nc(cnn2)c2ccc(cc2)[Cl])n1)=O)c1cc(ccc1F)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3111 |
| logD: | 4.3107 |
| logSw: | -4.5202 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.375 |
| InChI Key: | XXWISKZAOAJZEX-INIZCTEOSA-N |