1-[(3R)-3-[4-氨基-3-(4-苯氧基苯基)-1H-吡唑并[3,4-D]嘧啶-1-基]-1-哌啶基]-2-丙烯-1-酮

pro_cas
936563-96-1
pro_cdbregno
CCD05427736
pro_formula
C25 H24 N6 O2
pro_molWeight
440.505

basic_info

Product_Name: 1-[(3R)-3-[4-氨基-3-(4-苯氧基苯基)-1H-吡唑并[3,4-D]嘧啶-1-基]-1-哌啶基]-2-丙烯-1-酮
CAS: 936563-96-1
中文同义词: 1-[(3R)-3-[4-氨基-3-(4-苯氧基苯基)-1H-吡唑并[3,4-D]嘧啶-1-基]-1-哌啶基]-2-丙烯-1-酮 ; 伊鲁替尼 ; 依鲁替尼
EnglishSynonyms: IBRUTINIB ; IBRUTINIB (PCI-32765) ; 2-PROPEN-1-ONE, 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]-1-PIPERIDINYL]- ; 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]-1-PIPERIDINYL]-2-PROPEN-1-ONE ; PCI-32765 ; (R)-1-(3-(4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)PIPERIDIN-1-YL)PROP-2-EN-1-ONE
pro_mdlNumber: MFCD20261150
pro_acceptors: 8
pro_donors: 1
pro_smile: C=CC(=O)N1CCC[C@H](C1)n2c3c(c(n2)c4ccc(cc4)Oc5ccccc5)c(ncn3)N
InChi: InChI=1S/C25H24N6O2/c1-2-21(32)30-14-6-7-18(15-30)31-25-22(24(26)27-16-28-25)23(29-31)17-10-12-20(13-11-17)33-19-8-4-3-5-9-19/h2-5,8-13,16,18H,1,6-7,14-15H2,(H2,26,27,28)/t18-/m1/s1
InChiKey: InChIKey=XYFPWWZEPKGCCK-GOSISDBHSA-N

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