1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2,2-dimethylpropan-1-one
Chemical Structure Depiction of
1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2,2-dimethylpropan-1-one
1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2,2-dimethylpropan-1-one
Compound characteristics
| Compound ID: | V011-2489 |
| Compound Name: | 1-(4-{1-(4-fluorophenyl)-3-methyl-6-[(4-methylphenyl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-yl}-1,4-diazepan-1-yl)-2,2-dimethylpropan-1-one |
| Molecular Weight: | 514.65 |
| Molecular Formula: | C30 H35 F N6 O |
| Salt: | not_available |
| Smiles: | Cc1ccc(Cc2nc(c3c(C)nn(c4ccc(cc4)F)c3n2)N2CCCN(CC2)C(C(C)(C)C)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.934 |
| logD: | 5.8323 |
| logSw: | -5.7703 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | GWULRQOWGZSNAT-UHFFFAOYSA-N |