{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclohexyl)methanone
Chemical Structure Depiction of
{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclohexyl)methanone
{4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclohexyl)methanone
Compound characteristics
| Compound ID: | V014-1687 |
| Compound Name: | {4-[6-butyl-1-(4-fluorophenyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(cyclohexyl)methanone |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C28 H37 F N6 O |
| Salt: | not_available |
| Smiles: | CCCCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9775 |
| logD: | 5.4318 |
| logSw: | -5.6174 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.945 |
| InChI Key: | CPDOPWYCQPNEJZ-UHFFFAOYSA-N |