6'-Chloro-4-[2-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-ethylamino]-4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile (HCID 21928159)

基本情報

標準SMILES: Cn1c(C(O)CNC2CCN(c3cc(C(F)(F)F)c(C#N)c(Cl)n3)CC2)nc2ccccc21
InChIKey: VBEGAEGBVTXPJJ-UHFFFAOYSA-N
分子式: C22H22ClF3N6O
平均分子量: 478.9 g/mol

名称と識別子

優先名称: 6'-Chloro-4-[2-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-ethylamino]-4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile
IUPAC: 2-chloro-6-[4-[[2-hydroxy-2-(1-methylbenzimidazol-2-yl)ethyl]amino]piperidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile

名称と別名

6'-Chloro-4-[2-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-ethylamino]-4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrileSCHEMBL49189306'-chloro4-[2-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-ethylamino]-4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile6'-chloro4-[2-hydroxy-2-(1-methyl-1H-benzoimidazol-2-yl)-ethylamino]4'-trifluoromethyl-3,4,5,6-tetrahydro-2H-[1,2']bipyridinyl-5'-carbonitrile

データベース識別子

PubChem CID: 21928159

物性

構造計算による物性

XLogP: 3.4
極性表面積: 90 Å²
水素結合供与体数: 2
水素結合受容体数: 9
回転可能結合数: 5
重原子数: 33
形式電荷: 0
複雑度: 712

化合物ノート

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