1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-1-one
Chemical Structure Depiction of
1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-1-one
1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-1-one
Compound characteristics
| Compound ID: | V011-0452 |
| Compound Name: | 1-{4-[6-benzyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}-2-methylpropan-1-one |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C28 H31 F N6 O |
| Smiles: | CC(C)C(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(Cc2ccccc2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1068 |
| logD: | 5.005 |
| logSw: | -5.1029 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | CHPOBGJZOZOVBB-UHFFFAOYSA-N |