{4-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-fluorophenyl)methanone
Chemical Structure Depiction of
{4-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-fluorophenyl)methanone
{4-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-fluorophenyl)methanone
Compound characteristics
| Compound ID: | V024-9113 |
| Compound Name: | {4-[1-(3-chlorophenyl)-6-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-diazepan-1-yl}(4-fluorophenyl)methanone |
| Molecular Weight: | 492.98 |
| Molecular Formula: | C26 H26 Cl F N6 O |
| Salt: | not_available |
| Smiles: | CC(C)c1nc(c2cnn(c3cccc(c3)[Cl])c2n1)N1CCCN(CC1)C(c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6569 |
| logD: | 5.5924 |
| logSw: | -6.0065 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 53.409 |
| InChI Key: | CMWYEEIDJYRURH-UHFFFAOYSA-N |