Chem
J-GLOBAL ID:201507057854996109   Nikkaji number:J3.396.676H

PF-04136309

N-[2-[3β-[[4-[5-(2-ピリミジニル)-2-ピリジニル]-4-ヒドロキシシクロヘキシル]アミノ]-1-ピロリジニル]-2-オキソエチル]-3-(トリフルオロメチル)ベンズアミド
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: C29H31F3N6O3
Molecular formula furigana: C29-H31-F3-N6-O3
Molecular weight: 568.601
InChI: InChI=1S/C29H31F3N6O3/c30-29(31,32)21-4-1-3-19(15-21)27(40)36-17-25(39)38-14-9-23(18-38)37-22-7-10-28(41,11-8-22)24-6-5-20(16-35-24)26-33-12-2-13-34-26/h1-6,12-13,15-16,22-23,37,41H,7-11,14,17-18H2,(H,36,40)/t22?,23-,28?/m0/s1
InChI key: ZNSVOHSYDRPBGI-CBQRAPNFSA-N
SMILES: OC1(CCC(CC1)N[C@H]1CCN(C1)C(=O)CNC(=O)c1cccc(c1)C(F)(F)F)c1ccc(cn1)c1ncccn1
Systematic name  (3):
  • N-[2-[3β-[[4-[5-(2-ピリミジニル)-2-ピリジニル]-4-ヒドロキシシクロヘキシル]アミノ]-1-ピロリジニル]-2-オキソエチル]-3-(トリフルオロメチル)ベンズアミド
  • N-{2-[(3S)-3-({4-ヒドロキシ-4-[5-(ピリミジン-2-イル)ピリジン-2-イル]シクロヘキシル}アミノ)ピロリジン-1-イル]-2-オキソエチル}-3-(トリフルオロメチル)ベンズアミド
  • N-{2-[(3S)-3-({4-hydroxy-4-[5-(pyrimidin-2-yl)pyridin-2-yl]cyclohexyl}amino)pyrrolidin-1-yl]-2-oxoethyl}-3-(trifluoromethyl)benzamide
Other name (2):
  • N-[2-[3β-[[4-[5-(2-Pyrimidinyl)-2-pyridinyl]-4-hydroxycyclohexyl]amino]-1-pyrrolidinyl]-2-oxoethyl]-3-(trifluoromethyl)benzamide
  • PF-04136309
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