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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H27N7O
Molecular Weight 405.4961
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-DESACETYL PALBOCICLIB

SMILES

CC1=CC(=O)N(C2CCCC2)C3=NC(NC4=NC=C(C=C4)N5CCNCC5)=NC=C13

InChI

InChIKey=HOXDMBXWILKORE-UHFFFAOYSA-N
InChI=1S/C22H27N7O/c1-15-12-20(30)29(16-4-2-3-5-16)21-18(15)14-25-22(27-21)26-19-7-6-17(13-24-19)28-10-8-23-9-11-28/h6-7,12-14,16,23H,2-5,8-11H2,1H3,(H,24,25,26,27)

HIDE SMILES / InChI

Molecular Formula C22H27N7O
Molecular Weight 405.4961
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 Dec 16 18:37:33 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:33 GMT 2023
Record UNII
9M89JRK55G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-DESACETYL PALBOCICLIB
Common Name English
PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE, 8-CYCLOPENTYL-5-METHYL-2-((5-(1-PIPERAZINYL)-2-PYRIDINYL)AMINO)-
Systematic Name English
Code System Code Type Description
FDA UNII
9M89JRK55G
Created by admin on Sat Dec 16 18:37:33 GMT 2023 , Edited by admin on Sat Dec 16 18:37:33 GMT 2023
PRIMARY
CAS
571190-22-2
Created by admin on Sat Dec 16 18:37:33 GMT 2023 , Edited by admin on Sat Dec 16 18:37:33 GMT 2023
PRIMARY
PUBCHEM
5330281
Created by admin on Sat Dec 16 18:37:33 GMT 2023 , Edited by admin on Sat Dec 16 18:37:33 GMT 2023
PRIMARY