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Details

Stereochemistry RACEMIC
Molecular Formula C26H30Cl2FN5O3
Molecular Weight 550.453
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of tert-Butyl 4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]-1H-pyrazol-1-yl]piperidine-1-carboxylate, (±)-

SMILES

CC(OC1=CC(=CN=C1N)C2=CN(N=C2)C3CCN(CC3)C(=O)OC(C)(C)C)C4=C(Cl)C(F)=CC=C4Cl

InChI

InChIKey=QDGJKKNXEBCNJI-UHFFFAOYSA-N
InChI=1S/C26H30Cl2FN5O3/c1-15(22-19(27)5-6-20(29)23(22)28)36-21-11-16(12-31-24(21)30)17-13-32-34(14-17)18-7-9-33(10-8-18)25(35)37-26(2,3)4/h5-6,11-15,18H,7-10H2,1-4H3,(H2,30,31)

HIDE SMILES / InChI

Molecular Formula C26H30Cl2FN5O3
Molecular Weight 550.453
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 Wed Apr 02 19:25:51 GMT 2025
Edited
by admin
on Wed Apr 02 19:25:51 GMT 2025
Record UNII
2LKL84Z9AM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
tert-Butyl 4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]-1H-pyrazol-1-yl]piperidine-1-carboxylate, (±)-
Systematic Name English
1,1-Dimethylethyl 4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyrazol-1-yl]-1-piperidinecarboxylate
Preferred Name English
tert-Butyl 4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-3-yl]-1H-pyrazol-1-yl]piperidine-1-carboxylate
Systematic Name English
1-Piperidinecarboxylic acid, 4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-1H-pyrazol-1-yl]-, 1,1-dimethylethyl ester
Systematic Name English
Code System Code Type Description
CAS
877401-42-8
Created by admin on Wed Apr 02 19:25:51 GMT 2025 , Edited by admin on Wed Apr 02 19:25:51 GMT 2025
PRIMARY
PUBCHEM
58659146
Created by admin on Wed Apr 02 19:25:51 GMT 2025 , Edited by admin on Wed Apr 02 19:25:51 GMT 2025
PRIMARY
FDA UNII
2LKL84Z9AM
Created by admin on Wed Apr 02 19:25:51 GMT 2025 , Edited by admin on Wed Apr 02 19:25:51 GMT 2025
PRIMARY