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Details

Stereochemistry ACHIRAL
Molecular Formula C21H19F2N5O
Molecular Weight 395.4061
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PLX-5622

SMILES

Cc1cc2c(Cc3ccc(=NCc4cc(cnc4OC)F)[nH]c3F)c[nH]c2nc1

InChI

InChIKey=NSMOZFXKTHCPTQ-UHFFFAOYSA-N
InChI=1S/C21H19F2N5O/c1-12-5-17-14(9-26-20(17)25-8-12)6-13-3-4-18(28-19(13)23)24-10-15-7-16(22)11-27-21(15)29-2/h3-5,7-9,11H,6,10H2,1-2H3,(H,24,28)(H,25,26)

HIDE SMILES / InChI

Molecular Formula C21H19F2N5O
Molecular Weight 395.4061
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 Sat Jun 26 07:09:07 UTC 2021
Edited
by admin
on Sat Jun 26 07:09:07 UTC 2021
Record UNII
16A8IGR8L7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PLX-5622
Code English
PLX5622
Code English
3-PYRIDINEMETHANAMINE, 5-FLUORO-N-(6-FLUORO-5-((5-METHYL-1H-PYRROLO(2,3-B)PYRIDIN-3-YL)METHYL)-2-PYRIDINYL)-2-METHOXY-
Systematic Name English
5-FLUORO-N-(6-FLUORO-5-((5-METHYL-1H-PYRROLO(2,3-B)PYRIDIN-3-YL)METHYL)-2-PYRIDINYL)-2-METHOXY-3-PYRIDINEMETHANAMINE
Systematic Name English
Code System Code Type Description
CAS
1303420-67-8
Created by admin on Sat Jun 26 07:09:08 UTC 2021 , Edited by admin on Sat Jun 26 07:09:08 UTC 2021
PRIMARY
PUBCHEM
52936034
Created by admin on Sat Jun 26 07:09:08 UTC 2021 , Edited by admin on Sat Jun 26 07:09:08 UTC 2021
PRIMARY
FDA UNII
16A8IGR8L7
Created by admin on Sat Jun 26 07:09:08 UTC 2021 , Edited by admin on Sat Jun 26 07:09:08 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY