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Details

Stereochemistry MIXED
Molecular Formula C24H29N7O4
Molecular Weight 479.5325
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0
Stereo Comments CIS/TRANS ISOMERISM

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

SMILES

Cc1c2cnc(Nc3ccc(cn3)N4CC(NCC4O)O)nc2n(C5CCCC5)c(=O)c1C(=O)C

InChI

InChIKey=NNKRKMXTJOZTFL-UHFFFAOYSA-N
InChI=1S/C24H29N7O4/c1-13-17-10-27-24(28-18-8-7-16(9-25-18)30-12-19(33)26-11-20(30)34)29-22(17)31(15-5-3-4-6-15)23(35)21(13)14(2)32/h7-10,15,19-20,26,33-34H,3-6,11-12H2,1-2H3,(H,25,27,28,29)

HIDE SMILES / InChI

Molecular Formula C24H29N7O4
Molecular Weight 479.5325
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 21:39:12 UTC 2021
Edited
by admin
on Fri Jun 25 21:39:12 UTC 2021
Record UNII
UC494VDS3Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-ACETYL-8-CYCLOPENTYL-2-((5-(2,5-DIHYDROXYPIPERAZIN-1-YL)-2-PYRIDYL)AMINO)-5-METHYL-PYRIDO(2,3-D)PYRIMIDIN-7-ONE
Systematic Name English
PALBOCICLIB METABOLITE M6
Common Name English
Code System Code Type Description
FDA UNII
UC494VDS3Q
Created by admin on Fri Jun 25 21:39:12 UTC 2021 , Edited by admin on Fri Jun 25 21:39:12 UTC 2021
PRIMARY
Related Record Type Details
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