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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18ClN7O
Molecular Weight 407.856
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JAK-IN-28

SMILES

C[C@H](NC(=O)C1=CC=C(C=C1)C2=C(Cl)C=NC(NC3=CN(N=C3)C4CC4)=N2)C#N

InChI

InChIKey=FUKYYZIZPJCKQY-LBPRGKRZSA-N
InChI=1S/C20H18ClN7O/c1-12(8-22)25-19(29)14-4-2-13(3-5-14)18-17(21)10-23-20(27-18)26-15-9-24-28(11-15)16-6-7-16/h2-5,9-12,16H,6-7H2,1H3,(H,25,29)(H,23,26,27)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H18ClN7O
Molecular Weight 407.856
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 10:03:00 GMT 2025
Edited
by admin
on Wed Apr 02 10:03:00 GMT 2025
Record UNII
4MO0WIY820
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JAK-IN-28
Common Name English
4-[5-Chloro-2-[(1-cyclopropyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-N-[(1S)-1-cyanoethyl]benzamide
Preferred Name English
BENZAMIDE, 4-(5-CHLORO-2-((1-CYCLOPROPYL-1H-PYRAZOL-4-YL)AMINO)-4-PYRIMIDINYL)-N-((1S)-1-CYANOETHYL)-
Systematic Name English
Code System Code Type Description
PUBCHEM
154927987
Created by admin on Wed Apr 02 10:03:00 GMT 2025 , Edited by admin on Wed Apr 02 10:03:00 GMT 2025
PRIMARY
CAS
2445500-22-9
Created by admin on Wed Apr 02 10:03:00 GMT 2025 , Edited by admin on Wed Apr 02 10:03:00 GMT 2025
PRIMARY
FDA UNII
4MO0WIY820
Created by admin on Wed Apr 02 10:03:00 GMT 2025 , Edited by admin on Wed Apr 02 10:03:00 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
TARGET -> INHIBITOR
TARGET -> INHIBITOR
TARGET -> INHIBITOR
TARGET -> INHIBITOR
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY