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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H26N6O2
Molecular Weight 454.5236
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of A2A receptor antagonist 3

SMILES

C[C@H](NC(=O)C1=NC2=C(C(=NN2C=C1)C3=CC=CC(=C3)C#N)C4=CC(C)=NC(C)=C4)C(C)(C)O

InChI

InChIKey=ICIFFGNFPYKGTD-KRWDZBQOSA-N
InChI=1S/C26H26N6O2/c1-15-11-20(12-16(2)28-15)22-23(19-8-6-7-18(13-19)14-27)31-32-10-9-21(30-24(22)32)25(33)29-17(3)26(4,5)34/h6-13,17,34H,1-5H3,(H,29,33)/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H26N6O2
Molecular Weight 454.5236
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:27:08 GMT 2025
Edited
by admin
on Wed Apr 02 17:27:08 GMT 2025
Record UNII
T639ETH2JK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3-Cyanophenyl)-3-(2,6-dimethyl-4-pyridinyl)-N-[(1S)-2-hydroxy-1,2-dimethylpropyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
Preferred Name English
A2A receptor antagonist 3
Common Name English
Pyrazolo[1,5-a]pyrimidine-5-carboxamide, 2-(3-cyanophenyl)-3-(2,6-dimethyl-4-pyridinyl)-N-[(1S)-2-hydroxy-1,2-dimethylpropyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
T639ETH2JK
Created by admin on Wed Apr 02 17:27:08 GMT 2025 , Edited by admin on Wed Apr 02 17:27:08 GMT 2025
PRIMARY
PUBCHEM
157038619
Created by admin on Wed Apr 02 17:27:08 GMT 2025 , Edited by admin on Wed Apr 02 17:27:08 GMT 2025
PRIMARY
CAS
2738606-83-0
Created by admin on Wed Apr 02 17:27:08 GMT 2025 , Edited by admin on Wed Apr 02 17:27:08 GMT 2025
PRIMARY
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