PCI-32765

CAS No.
936563-96-1
CCD No.
CCD05427736
Formula
C25 H24 N6 O2
MolWeight
440.505

Basic Information

Product Name: PCI-32765
CAS: 936563-96-1
English Synonyms: 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]- ; (R)-1-(3-(4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL)PIPERIDIN-1-YL)PROP-2-EN-1-ONE ; PCI-32765 ; 1-[(3R)-3-[4-AMINO-3-(4-PHENOXYPHENYL)-1H-PYRAZOLO[3,4-D]PYRIMIDIN-1-YL]-1-PIPERIDINYL]-2-PROPEN-1-ONE
MDL Number.: MFCD20261150
H bond acceptor: 8
H bond donor: 1
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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