cyclohexyl{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Chemical Structure Depiction of
cyclohexyl{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
cyclohexyl{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone
Compound characteristics
| Compound ID: | V020-2590 |
| Compound Name: | cyclohexyl{4-[1-(4-fluorophenyl)-3-methyl-6-(3-methylbutyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}methanone |
| Molecular Weight: | 506.67 |
| Molecular Formula: | C29 H39 F N6 O |
| Salt: | not_available |
| Smiles: | CC(C)CCc1nc(c2c(C)nn(c3ccc(cc3)F)c2n1)N1CCCN(CC1)C(C1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3026 |
| logD: | 5.6443 |
| logSw: | -5.6444 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 54.945 |
| InChI Key: | RUYYKCITHVBLGY-UHFFFAOYSA-N |