Chem
J-GLOBAL ID：201707018519064692   Nikkaji number：J3.531.703A

1-[2-[(4,5,6-3H3)Pyrimidine-2-yl]-5-methyl(3,4-3H2)benzoyl]-2α-methyl-5β-[[5-fluoro(4,6-3H2)pyridine-2-yl]oxymethyl]piperidine

1-[2-[(4,5,6-3H3)ピリミジン-2-イル]-5-メチル(3,4-3H2)ベンゾイル]-2α-メチル-5β-[[5-フルオロ(4,6-3H2)ピリジン-2-イル]オキシメチル]ピペリジン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C24H18[3H]7FN4O2
Molecular formula furigana： C24-H25-F-N4-O2
Molecular weight： 434.545
InChI： InChI=1S/C24H25FN4O2/c1-16-4-8-20(23-26-10-3-11-27-23)21(12-16)24(30)29-14-18(6-5-17(29)2)15-31-22-9-7-19(25)13-28-22/h3-4,7-13,17-18H,5-6,14-15H2,1-2H3/t17-,18-/m1/s1/i3T,4T,7T,8T,10T,11T,13T
InChI key： NPFDWHQSDBWQLH-SNNULLFUSA-N
SMILES： c1([3H])nc(nc([3H])c1[3H])c1c([3H])c([3H])c(C)cc1C(=O)N1C[C@H](COc2cc([3H])c(F)c([3H])n2)CC[C@H]1C
Systematic name  (3)：
  • 1-[2-[(4,5,6-3H3)ピリミジン-2-イル]-5-メチル(3,4-3H2)ベンゾイル]-2α-メチル-5β-[[5-フルオロ(4,6-3H2)ピリジン-2-イル]オキシメチル]ピペリジン
  • 2-{2-[(2R,5R)-5-({[5-フルオロ(4,6-3H2)ピリジン-2-イル]オキシ}メチル)-2-メチルピペリジン-1-カルボニル]-4-メチル(5,6-3H2)フェニル}(3H3)ピリミジン
  • 2-{2-[(2R,5R)-5-({[5-fluoro(4,6-3H2)pyridin-2-yl]oxy}methyl)-2-methylpiperidine-1-carbonyl]-4-methyl(5,6-3H2)phenyl}(3H3)pyrimidine
Other name (1)：
  • 1-[2-[(4,5,6-3H3)Pyrimidine-2-yl]-5-methyl(3,4-3H2)benzoyl]-2α-methyl-5β-[[5-fluoro(4,6-3H2)pyridine-2-yl]oxymethyl]piperidine
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