{4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl}-(4-trifluoromethoxy-phenyl)-methanone (HCID 21897805)

基本情報

標準SMILES: CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)ncnc32)c(F)c1
InChIKey: IXMHOCDULCDOHH-UHFFFAOYSA-N
分子式: C25H21F4N5O5S
平均分子量: 579.5 g/mol
単同位体質量: 579.11995261

名称と識別子

優先名称: {4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl}-(4-trifluoromethoxy-phenyl)-methanone
IUPAC: [4-[1-(2-fluoro-4-methylsulfonylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxypiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone

名称と別名

{4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl}-(4-trifluoromethoxy-phenyl)-methanoneSCHEMBL388241{4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]piperidin-1-yl}-(4-trifluoromethoxy-phenyl)-methanone{4-[1-(2-Fluoro-4-methanesulfonyl-phenyl)1H-pyrazolo[3,4-d]pyrimidin-4-yloxy]-piperidin-1-yl}-(4-trifluoromethoxy-phenyl)-methanone

データベース識別子

PubChem CID: 21897805

物性

構造計算による物性

XLogP: 4.4
極性表面積: 125 Å²
水素結合供与体数: 0
水素結合受容体数: 12
回転可能結合数: 6
重原子数: 40
形式電荷: 0
複雑度: 985

化合物ノート

読み込み中…