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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H22F3N5O3
Molecular Weight 461.437
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KPI-10 FREE BASE

SMILES

CC(C)NC1CN(C1)C2=C(C)C3=C(C=C2F)C(=O)C(=CN3C4=NC(N)=C(F)C=C4F)C(O)=O

InChI

InChIKey=MJMVUQNNSOBCGF-UHFFFAOYSA-N
InChI=1S/C22H22F3N5O3/c1-9(2)27-11-6-29(7-11)18-10(3)17-12(4-14(18)23)19(31)13(22(32)33)8-30(17)21-16(25)5-15(24)20(26)28-21/h4-5,8-9,11,27H,6-7H2,1-3H3,(H2,26,28)(H,32,33)

HIDE SMILES / InChI

Molecular Formula C22H22F3N5O3
Molecular Weight 461.437
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:26:53 GMT 2023
Edited
by admin
on Sat Dec 16 01:26:53 GMT 2023
Record UNII
RTQ8P0159M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KPI-10 FREE BASE
Common Name English
WQ-3810
Common Name English
Code System Code Type Description
FDA UNII
RTQ8P0159M
Created by admin on Sat Dec 16 01:26:53 GMT 2023 , Edited by admin on Sat Dec 16 01:26:53 GMT 2023
PRIMARY
CAS
888032-58-4
Created by admin on Sat Dec 16 01:26:53 GMT 2023 , Edited by admin on Sat Dec 16 01:26:53 GMT 2023
PRIMARY
PUBCHEM
11676981
Created by admin on Sat Dec 16 01:26:53 GMT 2023 , Edited by admin on Sat Dec 16 01:26:53 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY