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Details

Stereochemistry ACHIRAL
Molecular Formula C22H27N7O2
Molecular Weight 421.4955
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-ACETYL-2-(5-(2-AMINOETHYLAMINO)PYRIDIN-2-YLAMINO)-8-CYCLOPENTYL-5-METHYL-8H-PYRIDO(2,3-D)PYRIMIDIN-7-ONE

SMILES

CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(NCCN)C=C3)N=C2N(C4CCCC4)C1=O

InChI

InChIKey=YDDZYJNEXVSNOR-UHFFFAOYSA-N
InChI=1S/C22H27N7O2/c1-13-17-12-26-22(27-18-8-7-15(11-25-18)24-10-9-23)28-20(17)29(16-5-3-4-6-16)21(31)19(13)14(2)30/h7-8,11-12,16,24H,3-6,9-10,23H2,1-2H3,(H,25,26,27,28)

HIDE SMILES / InChI

Molecular Formula C22H27N7O2
Molecular Weight 421.4955
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 14:34:43 GMT 2023
Edited
by admin
on Sat Dec 16 14:34:43 GMT 2023
Record UNII
DMA9PH4XE3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-ACETYL-2-(5-(2-AMINOETHYLAMINO)PYRIDIN-2-YLAMINO)-8-CYCLOPENTYL-5-METHYL-8H-PYRIDO(2,3-D)PYRIMIDIN-7-ONE
Systematic Name English
PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE, 6-ACETYL-2-((5-((2-AMINOETHYL)AMINO)-2-PYRIDINYL)AMINO)-8-CYCLOPENTYL-5-METHYL-
Systematic Name English
PALBOCICLIB METABOLITE M4
Common Name English
Code System Code Type Description
PUBCHEM
22329976
Created by admin on Sat Dec 16 14:34:43 GMT 2023 , Edited by admin on Sat Dec 16 14:34:43 GMT 2023
PRIMARY
FDA UNII
DMA9PH4XE3
Created by admin on Sat Dec 16 14:34:43 GMT 2023 , Edited by admin on Sat Dec 16 14:34:43 GMT 2023
PRIMARY
CAS
571191-15-6
Created by admin on Sat Dec 16 14:34:43 GMT 2023 , Edited by admin on Sat Dec 16 14:34:43 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE