U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C24H19F4N7O
Molecular Weight 497.4476
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Pebezertinib

SMILES

CN1C=C(NC2=NC(NC3=CC(NC(=O)C=C)=CC=C3F)=C(C=N2)C4=CC=C(C=C4)C(F)(F)F)C=N1

InChI

InChIKey=XIMJCWSFLXXQMZ-UHFFFAOYSA-N
InChI=1S/C24H19F4N7O/c1-3-21(36)31-16-8-9-19(25)20(10-16)33-22-18(14-4-6-15(7-5-14)24(26,27)28)12-29-23(34-22)32-17-11-30-35(2)13-17/h3-13H,1H2,2H3,(H,31,36)(H2,29,32,33,34)

HIDE SMILES / InChI

Molecular Formula C24H19F4N7O
Molecular Weight 497.4476
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 12:02:02 GMT 2025
Edited
by admin
on Wed Apr 02 12:02:02 GMT 2025
Record UNII
G8G5AU5GLJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Pebezertinib
INN   USAN  
Official Name English
N-[4-Fluoro-3-({2-[(1-methyl-1H-pyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl}amino)phenyl]prop-2-enamide
Preferred Name English
PEBEZERTINIB [USAN]
Common Name English
BLU-203139;
Code English
2-Propenamide, N-[4-fluoro-3-[[2-[(1-methyl-1H-pyrazol-4-yl)amino]-5-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl]amino]phenyl]-
Systematic Name English
BLU203139;
Code English
BLU-451
Code English
pebezertinib [INN]
Common Name English
Code System Code Type Description
INN
13193
Created by admin on Wed Apr 02 12:02:02 GMT 2025 , Edited by admin on Wed Apr 02 12:02:02 GMT 2025
PRIMARY
CAS
2769954-39-2
Created by admin on Wed Apr 02 12:02:02 GMT 2025 , Edited by admin on Wed Apr 02 12:02:02 GMT 2025
PRIMARY
NCI_THESAURUS
C187042
Created by admin on Wed Apr 02 12:02:02 GMT 2025 , Edited by admin on Wed Apr 02 12:02:02 GMT 2025
PRIMARY
SMS_ID
300000049153
Created by admin on Wed Apr 02 12:02:02 GMT 2025 , Edited by admin on Wed Apr 02 12:02:02 GMT 2025
PRIMARY
USAN
LM-170
Created by admin on Wed Apr 02 12:02:02 GMT 2025 , Edited by admin on Wed Apr 02 12:02:02 GMT 2025
PRIMARY
PUBCHEM
163280903
Created by admin on Wed Apr 02 12:02:02 GMT 2025 , Edited by admin on Wed Apr 02 12:02:02 GMT 2025
PRIMARY
FDA UNII
G8G5AU5GLJ
Created by admin on Wed Apr 02 12:02:02 GMT 2025 , Edited by admin on Wed Apr 02 12:02:02 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
PRECLINICAL
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY