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

Details

Stereochemistry ACHIRAL
Molecular Formula C18H13FN8O
Molecular Weight 376.3472
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-Amino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,9-dihydro-8H-purin-8-one

SMILES

NC1=C2NC(=O)NC2=NC(=N1)C3=NN(CC4=CC=CC=C4F)C5=C3C=CC=N5

InChI

InChIKey=XCHOOCNZQCRKNW-UHFFFAOYSA-N
InChI=1S/C18H13FN8O/c19-11-6-2-1-4-9(11)8-27-17-10(5-3-7-21-17)12(26-27)15-23-14(20)13-16(24-15)25-18(28)22-13/h1-7H,8H2,(H4,20,22,23,24,25,28)

HIDE SMILES / InChI

Molecular Formula C18H13FN8O
Molecular Weight 376.3472
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 17:18:57 GMT 2025
Edited
by admin
on Wed Apr 02 17:18:57 GMT 2025
Record UNII
QT3KZH4EMQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-Amino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,9-dihydro-8H-purin-8-one
Systematic Name English
Riociguat impurity 12
Preferred Name English
8H-Purin-8-one, 6-amino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,9-dihydro-
Systematic Name English
Code System Code Type Description
PUBCHEM
66613627
Created by admin on Wed Apr 02 17:18:57 GMT 2025 , Edited by admin on Wed Apr 02 17:18:57 GMT 2025
PRIMARY
CAS
1361569-10-9
Created by admin on Wed Apr 02 17:18:57 GMT 2025 , Edited by admin on Wed Apr 02 17:18:57 GMT 2025
PRIMARY
FDA UNII
QT3KZH4EMQ
Created by admin on Wed Apr 02 17:18:57 GMT 2025 , Edited by admin on Wed Apr 02 17:18:57 GMT 2025
PRIMARY