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Details

Stereochemistry ACHIRAL
Molecular Formula C28H38N8O3
Molecular Weight 534.6531
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TERT-BUTYL 4-(6-((7-CYCLOPENTYL-6-(DIMETHYLCARBAMOYL)-7H-PYRROLO(2,3-D)PYRIMIDIN-2-YL)AMINO)PYRIDIN-3-YL)PIPERAZINE-1-CARBOXYLATE

SMILES

CN(C)C(=O)C1=CC2=CN=C(NC3=NC=C(C=C3)N4CCN(CC4)C(=O)OC(C)(C)C)N=C2N1C5CCCC5

InChI

InChIKey=ZCVCEBXWRPIXKX-UHFFFAOYSA-N
InChI=1S/C28H38N8O3/c1-28(2,3)39-27(38)35-14-12-34(13-15-35)21-10-11-23(29-18-21)31-26-30-17-19-16-22(25(37)33(4)5)36(24(19)32-26)20-8-6-7-9-20/h10-11,16-18,20H,6-9,12-15H2,1-5H3,(H,29,30,31,32)

HIDE SMILES / InChI

Molecular Formula C28H38N8O3
Molecular Weight 534.6531
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 Wed Apr 02 12:40:15 GMT 2025
Edited
by admin
on Wed Apr 02 12:40:15 GMT 2025
Record UNII
MHB4VBX3AY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-(6-(7-CYCLOPENTYL-6-DIMETHYLCARBAMOYL-7H-PYRROLO(2,3-D)PYRIMIDIN-2-YLAMINO)-PYRIDIN-3-YL)-PIPERAZINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Preferred Name English
TERT-BUTYL 4-(6-((7-CYCLOPENTYL-6-(DIMETHYLCARBAMOYL)-7H-PYRROLO(2,3-D)PYRIMIDIN-2-YL)AMINO)PYRIDIN-3-YL)PIPERAZINE-1-CARBOXYLATE
Systematic Name English
Code System Code Type Description
CAS
1374639-78-7
Created by admin on Wed Apr 02 12:40:15 GMT 2025 , Edited by admin on Wed Apr 02 12:40:15 GMT 2025
PRIMARY
PUBCHEM
67354206
Created by admin on Wed Apr 02 12:40:15 GMT 2025 , Edited by admin on Wed Apr 02 12:40:15 GMT 2025
PRIMARY
EPA CompTox
DTXSID301021044
Created by admin on Wed Apr 02 12:40:15 GMT 2025 , Edited by admin on Wed Apr 02 12:40:15 GMT 2025
PRIMARY
FDA UNII
MHB4VBX3AY
Created by admin on Wed Apr 02 12:40:15 GMT 2025 , Edited by admin on Wed Apr 02 12:40:15 GMT 2025
PRIMARY