Chemical Compound

Evobrutinib

CAS Registry Number1415823-73-2
Evobrutinib chemical structure
Primary record

Evobrutinib

CAS
1415823-73-2
PubChem CID
71479709
SMILES
C=CC(=O)N1CCC(CC1)CNC2=NC=NC(=C2C3=CC=C(C=C3)OC4=CC=CC=C4)N
Molecular Formula
C25H27N5O2
Molecular Weight
429.524
Exact Mass
429.2165
InChI
InChI=1S/C25H27N5O2/c1-2-22(31)30-14-12-18(13-15-30)16-27-25-23(24(26)28-17-29-25)19-8-10-21(11-9-19)32-20-6-4-3-5-7-20/h2-11,17-18H,1,12-16H2,(H3,26,27,28,29)
InChIKey
QUIWHXQETADMGN-UHFFFAOYSA-N
LogP
4.3546
TPSA
93.37

Names and synonyms

  • Evobrutinib
  • evobrutinibum
  • Evobrutinib?
  • Evobrutinib [INN]
  • 1415823-73-2
  • M-2951; Evobrutinib
  • RefChem:139675
  • Evobrutinib (USAN/INN)
  • EVOBRUTINIB [USAN]
  • Evobrutinib (M-2951)
  • MSC2364447C
  • ZA45457L1K
  • MSC-2364447C
  • EVOBRUTINIB [WHO-DD]
  • UNII-ZA45457L1K
  • GTPL9752
  • CHEMBL4072833
  • SCHEMBL14165673
  • QUIWHXQETADMGN-UHFFFAOYSA-N
  • BDBM291522
  • C25H27N5O2
  • M-2951
  • US9580449, Example A39
  • BCP28995
  • EX-A2691
  • US9580449, Example A250
  • NSC800892
  • s8777
  • M2951
  • AKOS032954004