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

Details

Stereochemistry RACEMIC
Molecular Formula C25H29N7O3
Molecular Weight 475.5429
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(6-((6-ACETYL-8-CYCLOPENTYL-5-METHYL-7-OXO-PYRIDO(2,3-D)PYRIMIDIN-2-YL)AMINO)-3-PYRIDYL)PIPERAZINE-2-CARBALDEHYDE

SMILES

CC(=O)C1=C(C)C2=CN=C(NC3=NC=C(C=C3)N4CCNC(C4)C=O)N=C2N(C5CCCC5)C1=O

InChI

InChIKey=OOHYZGGDEHSHOH-UHFFFAOYSA-N
InChI=1S/C25H29N7O3/c1-15-20-12-28-25(29-21-8-7-19(11-27-21)31-10-9-26-17(13-31)14-33)30-23(20)32(18-5-3-4-6-18)24(35)22(15)16(2)34/h7-8,11-12,14,17-18,26H,3-6,9-10,13H2,1-2H3,(H,27,28,29,30)

HIDE SMILES / InChI

Molecular Formula C25H29N7O3
Molecular Weight 475.5429
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 Sat Dec 16 14:35:21 UTC 2023
Edited
by admin
on Sat Dec 16 14:35:21 UTC 2023
Record UNII
34V8J3Z3TR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(6-((6-ACETYL-8-CYCLOPENTYL-5-METHYL-7-OXO-PYRIDO(2,3-D)PYRIMIDIN-2-YL)AMINO)-3-PYRIDYL)PIPERAZINE-2-CARBALDEHYDE
Systematic Name English
PALBOCICLIB METABOLITE M12
Common Name English
Code System Code Type Description
FDA UNII
34V8J3Z3TR
Created by admin on Sat Dec 16 14:35:21 UTC 2023 , Edited by admin on Sat Dec 16 14:35:21 UTC 2023
PRIMARY
PUBCHEM
165411969
Created by admin on Sat Dec 16 14:35:21 UTC 2023 , Edited by admin on Sat Dec 16 14:35:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE