N~6~-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Chemical Structure Depiction of
N~6~-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
N~6~-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Compound characteristics
| Compound ID: | V023-1547 |
| Compound Name: | N~6~-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(2,5-difluorophenyl)-4-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine |
| Molecular Weight: | 490.44 |
| Molecular Formula: | C25 H17 F3 N6 O2 |
| Salt: | not_available |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1nc(c2cccc(c2)F)c2c(n1)nn(c1cc(ccc1F)F)c2N |
| Stereo: | ACHIRAL |
| logP: | 5.0694 |
| logD: | 5.0689 |
| logSw: | -5.3588 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.625 |
| InChI Key: | GXSYAXYCGFLQEB-UHFFFAOYSA-N |