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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H17ClF2N6OS
Molecular Weight 486.925
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LY-3499446

SMILES

NC1=NC2=C(C=CC(F)=C2S1)C3=C(Cl)C=C4C(=NC=NC4=C3F)N5CCN(CC5)C(=O)C=C

InChI

InChIKey=YNBBKDMAVRSYRE-UHFFFAOYSA-N
InChI=1S/C22H17ClF2N6OS/c1-2-15(32)30-5-7-31(8-6-30)21-12-9-13(23)16(17(25)18(12)27-10-28-21)11-3-4-14(24)20-19(11)29-22(26)33-20/h2-4,9-10H,1,5-8H2,(H2,26,29)

HIDE SMILES / InChI

Approval Year

Name Type Language
LY3499446
Preferred Name English
LY-3499446
Code English
1-(4-(7-(2-AMINO-7-FLUORO-1,3-BENZOTHIAZOL-4-YL)-6-CHLORO-8-FLUORO-QUINAZOLIN-4-YL)PIPERAZIN-1-YL)PROP-2-EN-1-ONE
Systematic Name English
2-PROPEN-1-ONE, 1-(4-(7-2-AMINO-7-FLUORO-4-BENZOTHIAZOLYL)-6-CHLORO-8-FLUORO-4-QUINAZOLINYL)-1-PIPERAZINYL)-
Systematic Name English
Code System Code Type Description
CAS
2409131-50-4
Created by admin on Wed Apr 02 09:47:24 GMT 2025 , Edited by admin on Wed Apr 02 09:47:24 GMT 2025
PRIMARY
FDA UNII
QZJ1I2EN1V
Created by admin on Wed Apr 02 09:47:24 GMT 2025 , Edited by admin on Wed Apr 02 09:47:24 GMT 2025
PRIMARY
SMS_ID
300000001704
Created by admin on Wed Apr 02 09:47:24 GMT 2025 , Edited by admin on Wed Apr 02 09:47:24 GMT 2025
PRIMARY
PUBCHEM
146472812
Created by admin on Wed Apr 02 09:47:24 GMT 2025 , Edited by admin on Wed Apr 02 09:47:24 GMT 2025
PRIMARY
NCI_THESAURUS
C166410
Created by admin on Wed Apr 02 09:47:24 GMT 2025 , Edited by admin on Wed Apr 02 09:47:24 GMT 2025
PRIMARY