{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone
Chemical Structure Depiction of
{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone
{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone
Compound characteristics
| Compound ID: | V020-2614 |
| Compound Name: | {4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(2-methylphenyl)methanone |
| Molecular Weight: | 514.65 |
| Molecular Formula: | C30 H35 F N6 O |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(c1ccccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0688 |
| logD: | 5.4105 |
| logSw: | -5.7157 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.753 |
| InChI Key: | PXTCVYYLWOWUJS-UHFFFAOYSA-N |