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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H18F3N5O
Molecular Weight 425.4064
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Apinocaltamide

SMILES

FC(F)(F)C1(CC1)C2=CC=C(CC(=O)NC3=NN(CC4=NC=C(C=C4)C#N)C=C3)C=C2

InChI

InChIKey=LSYANGLAZUZYFX-UHFFFAOYSA-N
InChI=1S/C22H18F3N5O/c23-22(24,25)21(8-9-21)17-4-1-15(2-5-17)11-20(31)28-19-7-10-30(29-19)14-18-6-3-16(12-26)13-27-18/h1-7,10,13H,8-9,11,14H2,(H,28,29,31)

HIDE SMILES / InChI

Molecular Formula C22H18F3N5O
Molecular Weight 425.4064
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 14:54:10 UTC 2023
Edited
by admin
on Sat Dec 16 14:54:10 UTC 2023
Record UNII
3Z7U1U8Z9E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Apinocaltamide
INN  
Official Name English
ACT-709478
Code English
N-{1-[(5-cyanopyridin-2-yl)methyl]-1H-pyrazol-3-yl}-2- {4-[1-(trifluoromethyl)cyclopropyl]phenyl}acetamide
Systematic Name English
N-[1-[(5-Cyano-2-pyridinyl)methyl]-1H-pyrazol-3-yl]-4-[1-(trifluoromethyl)cyclopropyl]benzeneacetamide
Systematic Name English
Benzeneacetamide, N-[1-[(5-cyano-2-pyridinyl)methyl]-1H-pyrazol-3-yl]-4-[1-(trifluoromethyl)cyclopropyl]-
Systematic Name English
Apinocaltamide [INN]
Common Name English
N-(1-((5-CYANOPYRIDIN-2-YL)METHYL)-1H-PYRAZOL-3-YL)-2-(4-(1-(TRIFLUOROMETHYL)CYCLOPROPYL)-PHENYL)ACETAMIDE
Systematic Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 808621
Created by admin on Sat Dec 16 14:54:11 UTC 2023 , Edited by admin on Sat Dec 16 14:54:11 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C190345
Created by admin on Sat Dec 16 14:54:11 UTC 2023 , Edited by admin on Sat Dec 16 14:54:11 UTC 2023
PRIMARY
FDA UNII
3Z7U1U8Z9E
Created by admin on Sat Dec 16 14:54:11 UTC 2023 , Edited by admin on Sat Dec 16 14:54:11 UTC 2023
PRIMARY
PUBCHEM
118560618
Created by admin on Sat Dec 16 14:54:11 UTC 2023 , Edited by admin on Sat Dec 16 14:54:11 UTC 2023
PRIMARY
INN
12251
Created by admin on Sat Dec 16 14:54:11 UTC 2023 , Edited by admin on Sat Dec 16 14:54:11 UTC 2023
PRIMARY
SMS_ID
300000026613
Created by admin on Sat Dec 16 14:54:11 UTC 2023 , Edited by admin on Sat Dec 16 14:54:11 UTC 2023
PRIMARY
CAS
1838651-58-3
Created by admin on Sat Dec 16 14:54:11 UTC 2023 , Edited by admin on Sat Dec 16 14:54:11 UTC 2023
PRIMARY
Related Record Type Details
TARGET->WEAK INHIBITOR
IC50
BINDER->LIGAND
BINDING
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY