(2R)-2-[[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-β-oxo-1-pyrrolidinepropanenitrile

CAS Registry Number®

1414356-33-4

CAS Name

(2R)-2-[[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-β-oxo-1-pyrrolidinepropanenitrile

Molecular Formula

C25H22FN7O2

Molecular Mass

471.49

Cite this Page

(2R)-2-[[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-β-oxo-1-pyrrolidinepropanenitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1414356-33-4 (retrieved 2024-12-22) (CAS RN: 1414356-33-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H22FN7O2/c26-20-13-18(35-17-6-2-1-3-7-17)8-9-19(20)23-22-24(28)29-15-30-25(22)33(31-23)14-16-5-4-12-32(16)21(34)10-11-27/h1-3,6-9,13,15-16H,4-5,10,12,14H2,(H2,28,29,30)/t16-/m1/s1

InChIKey

InChIKey=VUYGKRZKTBYNMP-MRXNPFEDSA-N

SMILES

NC1=C2C(=NN(C[C@@H]3N(C(CC#N)=O)CCC3)C2=NC=N1)C4=C(F)C=C(OC5=CC=CC=C5)C=C4

Canonical SMILES

N#CCC(=O)N1CCCC1CN2N=C(C=3C=CC(OC=4C=CC=CC4)=CC3F)C=5C(=NC=NC52)N

Other Names for this Substance

  • 1-Pyrrolidinepropanenitrile, 2-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-β-oxo-, (2R)-
  • (2R)-2-[[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-β-oxo-1-pyrrolidinepropanenitrile
  • 3-[(2R)-2-[[4-Amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidin-1-yl]-3-oxopropanenitrile

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