1'-[2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl-6-carboxylic acid methyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide (HCID 66686376)

基本情報

標準SMILES: Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2cccc(C(=O)N(C)C3CCCc4ccccc43)n2)CC1
InChIKey: JSSIVEYYVTZWPG-UHFFFAOYSA-N
分子式: C29H32F3N5O2
平均分子量: 539.6 g/mol

名称と識別子

優先名称: 1'-[2-(5-Methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl-6-carboxylic acid methyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide
IUPAC: N-methyl-6-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2-carboxamide

名称と別名

1'-[2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-1',2',3',4',5',6'-hexahydro-[2,4']bipyridinyl-6-carboxylic acid methyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)-amideSCHEMBL4383911'-[2-(5-methyl-3-trifluoromethyl-pyrazol-1-yl)-acetyl]-1',2',3',4',5',6'-hexahydro-[2,4]bipyridinyl-6-carboxylic acid methyl-(1,2,3,4-tetrahydro-naphthalen-1-yl)-amide

データベース識別子

PubChem CID: 66686376

物性

構造計算による物性

XLogP: 4.5
極性表面積: 71.3 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 5
重原子数: 39
形式電荷: 0
複雑度: 864

化合物ノート

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