1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
Chemical Structure Depiction of
1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one
Compound characteristics
| Compound ID: | V020-2602 |
| Compound Name: | 1-{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}hexan-1-one |
| Molecular Weight: | 494.66 |
| Molecular Formula: | C28 H39 F N6 O |
| Salt: | not_available |
| Smiles: | CCCCCC(N1CCCN(CC1)c1c2c(C)nn(c3ccc(cc3)F)c2nc(CCC(C)C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2459 |
| logD: | 5.5876 |
| logSw: | -5.5897 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.497 |
| InChI Key: | CQOKPLVCVAZLCR-UHFFFAOYSA-N |