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

Stereochemistry ABSOLUTE
Molecular Formula C22H28ClN5O2
Molecular Weight 429.943
Optical Activity ( + )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Zemirciclib

SMILES

CC(=O)N[C@@H]1CCC[C@@H](C1)C(=O)NC2=NC=C(Cl)C(=C2)C3=C4CC(C)(C)CN4N=C3

InChI

InChIKey=AVIWDYSJSPOOAR-LSDHHAIUSA-N
InChI=1S/C22H28ClN5O2/c1-13(29)26-15-6-4-5-14(7-15)21(30)27-20-8-16(18(23)11-24-20)17-10-25-28-12-22(2,3)9-19(17)28/h8,10-11,14-15H,4-7,9,12H2,1-3H3,(H,26,29)(H,24,27,30)/t14-,15+/m0/s1

HIDE SMILES / InChI

Molecular Formula C22H28ClN5O2
Molecular Weight 429.943
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 01:20:23 GMT 2025
Edited
by admin
on Wed Apr 02 01:20:23 GMT 2025
Record UNII
E5XSP3X68B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(1S,3R)-3-(Acetylamino)-N-[5-chloro-4-(5,6-dihydro-5,5-dimethyl-4H-pyrrolo[1,2-b]pyrazol-3-yl)-2-pyridinyl]cyclohexanecarboxamide
Preferred Name English
Zemirciclib
INN  
Official Name English
AZD4573
Code English
zemirciclib [INN]
Common Name English
AZD 4573 [WHO-DD]
Common Name English
AZD-4573
Code English
Cyclohexanecarboxamide, 3-(acetylamino)-N-[5-chloro-4-(5,6-dihydro-5,5-dimethyl-4H-pyrrolo[1,2-b]pyrazol-3-yl)-2-pyridinyl]-, (1S,3R)-
Systematic Name English
Code System Code Type Description
CAS
2057509-72-3
Created by admin on Wed Apr 02 01:20:23 GMT 2025 , Edited by admin on Wed Apr 02 01:20:23 GMT 2025
PRIMARY
INN
12983
Created by admin on Wed Apr 02 01:20:23 GMT 2025 , Edited by admin on Wed Apr 02 01:20:23 GMT 2025
PRIMARY
NCI_THESAURUS
C153377
Created by admin on Wed Apr 02 01:20:23 GMT 2025 , Edited by admin on Wed Apr 02 01:20:23 GMT 2025
PRIMARY
SMS_ID
300000054560
Created by admin on Wed Apr 02 01:20:23 GMT 2025 , Edited by admin on Wed Apr 02 01:20:23 GMT 2025
PRIMARY
FDA UNII
E5XSP3X68B
Created by admin on Wed Apr 02 01:20:23 GMT 2025 , Edited by admin on Wed Apr 02 01:20:23 GMT 2025
PRIMARY
PUBCHEM
124155204
Created by admin on Wed Apr 02 01:20:23 GMT 2025 , Edited by admin on Wed Apr 02 01:20:23 GMT 2025
PRIMARY
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TARGET->WEAK INHIBITOR
SALT/SOLVATE -> PARENT
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ACTIVE MOIETY