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

Details

Stereochemistry RACEMIC
Molecular Formula C24H29N7O3
Molecular Weight 463.5331
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-ACETYL-8-CYCLOPENTYL-2-((5-(3-HYDROXYPIPERAZIN-1-YL)-2-PYRIDYL)AMINO)-5-METHYL-PYRIDO(2,3-D)PYRIMIDIN-7-ONE

SMILES

Cc1c2cnc(Nc3ccc(cn3)N4CCNC(C4)O)nc2n(C5CCCC5)c(=O)c1C(=O)C

InChI

InChIKey=IIIWEDAOZYOTFW-UHFFFAOYSA-N
InChI=1S/C24H29N7O3/c1-14-18-12-27-24(28-19-8-7-17(11-26-19)30-10-9-25-20(33)13-30)29-22(18)31(16-5-3-4-6-16)23(34)21(14)15(2)32/h7-8,11-12,16,20,25,33H,3-6,9-10,13H2,1-2H3,(H,26,27,28,29)

HIDE SMILES / InChI

Molecular Formula C24H29N7O3
Molecular Weight 463.5331
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 21:39:14 UTC 2021
Edited
by admin
on Fri Jun 25 21:39:14 UTC 2021
Record UNII
2AQ74U7L98
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-ACETYL-8-CYCLOPENTYL-2-((5-(3-HYDROXYPIPERAZIN-1-YL)-2-PYRIDYL)AMINO)-5-METHYL-PYRIDO(2,3-D)PYRIMIDIN-7-ONE
Systematic Name English
PALBOCICLIB METABOLITE M3
Common Name English
Code System Code Type Description
FDA UNII
2AQ74U7L98
Created by admin on Fri Jun 25 21:39:14 UTC 2021 , Edited by admin on Fri Jun 25 21:39:14 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE