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

Details

Stereochemistry ACHIRAL
Molecular Formula C31H36N8O3
Molecular Weight 568.6693
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Andamertinib

SMILES

COC1CN(C1)C2CCN(CC2)C3=CC(OC)=C(NC4=NC=NC(=C4)C5=CC=C6N(C)N=CC6=C5)C=C3NC(=O)C=C

InChI

InChIKey=KKPCZGCBAIJCOU-UHFFFAOYSA-N
InChI=1S/C31H36N8O3/c1-5-31(40)36-25-13-26(29(42-4)15-28(25)38-10-8-22(9-11-38)39-17-23(18-39)41-3)35-30-14-24(32-19-33-30)20-6-7-27-21(12-20)16-34-37(27)2/h5-7,12-16,19,22-23H,1,8-11,17-18H2,2-4H3,(H,36,40)(H,32,33,35)

HIDE SMILES / InChI

Molecular Formula C31H36N8O3
Molecular Weight 568.6693
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 17:18:52 GMT 2025
Edited
by admin
on Wed Apr 02 17:18:52 GMT 2025
Record UNII
5X3KAG7ZBW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Andamertinib
INN  
Official Name English
andamertinib [INN]
Preferred Name English
2-Propenamide, N-[4-methoxy-2-[4-(3-methoxy-1-azetidinyl)-1-piperidinyl]-5-[[6-(1-methyl-1H-indazol-5-yl)-4-pyrimidinyl]amino]phenyl]-
Systematic Name English
N-[4-Methoxy-2-[4-(3-methoxy-1-azetidinyl)-1-piperidinyl]-5-[[6-(1-methyl-1H-indazol-5-yl)-4-pyrimidinyl]amino]phenyl]-2-propenamide
Systematic Name English
N-(4-methoxy-2-[4-(3-methoxyazetidin-1-yl)piperidin-1-yl]-5-{[6-(1-methyl-1H-indazol-5-yl)pyrimidin-4-yl]amino}phenyl)prop-2-enamide
Systematic Name English
Code System Code Type Description
FDA UNII
5X3KAG7ZBW
Created by admin on Wed Apr 02 17:18:52 GMT 2025 , Edited by admin on Wed Apr 02 17:18:52 GMT 2025
PRIMARY
PUBCHEM
146498390
Created by admin on Wed Apr 02 17:18:52 GMT 2025 , Edited by admin on Wed Apr 02 17:18:52 GMT 2025
PRIMARY
CAS
2254145-43-0
Created by admin on Wed Apr 02 17:18:52 GMT 2025 , Edited by admin on Wed Apr 02 17:18:52 GMT 2025
PRIMARY
INN
13456
Created by admin on Wed Apr 02 17:18:52 GMT 2025 , Edited by admin on Wed Apr 02 17:18:52 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY