IPI 145

CAS Registry Number®

1201438-56-3
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CAS Name

IPI 145

Molecular Formula

C22H17ClN6O

Molecular Mass

416.86

Cite this Page

IPI 145.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1201438-56-3 (retrieved 2024-04-24) (CAS RN: 1201438-56-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H17ClN6O/c1-13(28-21-19-20(25-11-24-19)26-12-27-21)17-10-14-6-5-9-16(23)18(14)22(30)29(17)15-7-3-2-4-8-15/h2-13H,1H3,(H2,24,25,26,27,28)/t13-/m0/s1

InChIKey

InChIKey=SJVQHLPISAIATJ-ZDUSSCGKSA-N

SMILES

[C@H](NC1=C2C(N=CN2)=NC=N1)(C)C=3N(C(=O)C=4C(C3)=CC=CC4Cl)C5=CC=CC=C5

Canonical SMILES

O=C1C=2C(Cl)=CC=CC2C=C(N1C=3C=CC=CC3)C(NC4=NC=NC=5N=CNC54)C

Other Names for this Substance

  • 1(2H)-Isoquinolinone, 8-chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-
  • 8-Chloro-2-phenyl-3-[(1S)-1-(9H-purin-6-ylamino)ethyl]-1(2H)-isoquinolinone
  • IPI 145
  • INK 1197
  • Duvelisib

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Deleted or Replaced CAS Registry Numbers

1355213-59-0, 1428465-12-6

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