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

Details

Stereochemistry ACHIRAL
Molecular Formula C27H29ClFN5O2
Molecular Weight 510.003
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(4-(3-CHLORO-4-FLUOROPHENYLAMINO)-7-((7-METHYL-7-AZASPIRO(3.5)NONAN-2-YL)METHOXY)QUINAZOLIN-6-YL)ACRYLAMIDE

SMILES

CN1CCC2(CC(COC3=CC4=C(C=C3NC(=O)C=C)C(NC5=CC=C(F)C(Cl)=C5)=NC=N4)C2)CC1

InChI

InChIKey=KJBZQIKLKWQVLL-UHFFFAOYSA-N
InChI=1S/C27H29ClFN5O2/c1-3-25(35)33-23-11-19-22(30-16-31-26(19)32-18-4-5-21(29)20(28)10-18)12-24(23)36-15-17-13-27(14-17)6-8-34(2)9-7-27/h3-5,10-12,16-17H,1,6-9,13-15H2,2H3,(H,33,35)(H,30,31,32)

HIDE SMILES / InChI

Molecular Formula C27H29ClFN5O2
Molecular Weight 510.003
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 Thu Jul 06 14:35:26 UTC 2023
Edited
by admin
on Thu Jul 06 14:35:26 UTC 2023
Record UNII
M8R6ETA52F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(4-(3-CHLORO-4-FLUOROPHENYLAMINO)-7-((7-METHYL-7-AZASPIRO(3.5)NONAN-2-YL)METHOXY)QUINAZOLIN-6-YL)ACRYLAMIDE
Systematic Name English
Pirotinib [WHO-DD]
Common Name English
2-PROPENAMIDE, N-(4-((3-CHLORO-4-FLUOROPHENYL)AMINO)-7-((7-METHYL-7-AZASPIRO(3.5)NON-2-YL)METHOXY)-6-QUINAZOLINYL)-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C129825
Created by admin on Thu Jul 06 14:35:26 UTC 2023 , Edited by admin on Thu Jul 06 14:35:26 UTC 2023
NCI_THESAURUS C1967
Created by admin on Thu Jul 06 14:35:26 UTC 2023 , Edited by admin on Thu Jul 06 14:35:26 UTC 2023
Code System Code Type Description
CAS
1799730-21-4
Created by admin on Thu Jul 06 14:35:26 UTC 2023 , Edited by admin on Thu Jul 06 14:35:26 UTC 2023
NO STRUCTURE GIVEN
PUBCHEM
56933206
Created by admin on Thu Jul 06 14:35:26 UTC 2023 , Edited by admin on Thu Jul 06 14:35:26 UTC 2023
PRIMARY
FDA UNII
M8R6ETA52F
Created by admin on Thu Jul 06 14:35:26 UTC 2023 , Edited by admin on Thu Jul 06 14:35:26 UTC 2023
PRIMARY
CAS
1363358-86-4
Created by admin on Thu Jul 06 14:35:26 UTC 2023 , Edited by admin on Thu Jul 06 14:35:26 UTC 2023
PRIMARY