N~6~-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chlorophenyl)-2-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Chemical Structure Depiction of
N~6~-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chlorophenyl)-2-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
N~6~-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chlorophenyl)-2-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine
Compound characteristics
| Compound ID: | V019-3124 |
| Compound Name: | N~6~-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-chlorophenyl)-2-(3-fluorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,6-diamine |
| Molecular Weight: | 488.91 |
| Molecular Formula: | C25 H18 Cl F N6 O2 |
| Salt: | not_available |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1nc(c2ccc(cc2)[Cl])c2c(n1)nn(c1cccc(c1)F)c2N |
| Stereo: | ACHIRAL |
| logP: | 5.3413 |
| logD: | 5.3395 |
| logSw: | -6.2029 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.926 |
| InChI Key: | CQOZNMNXGCZWJD-UHFFFAOYSA-N |