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Details

Stereochemistry ACHIRAL
Molecular Formula C20H17FN8O
Molecular Weight 404.4004
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-7,9-dimethyl-8H-purin-8-one

SMILES

CN1C(=O)N(C)C2=C(N)N=C(N=C12)C3=NN(CC4=CC=CC=C4F)C5=C3C=CC=N5

InChI

InChIKey=YVNXUGWVLDZUEP-UHFFFAOYSA-N
InChI=1S/C20H17FN8O/c1-27-15-16(22)24-17(25-19(15)28(2)20(27)30)14-12-7-5-9-23-18(12)29(26-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H2,22,24,25)

HIDE SMILES / InChI

Molecular Formula C20H17FN8O
Molecular Weight 404.4004
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 17:45:05 GMT 2025
Edited
by admin
on Wed Apr 02 17:45:05 GMT 2025
Record UNII
J45JKS4L5H
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-7,9-dimethyl-8H-purin-8-one
Systematic Name English
Guanylate cyclase-IN-1
Preferred Name English
6-Amino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-7,9-dimethyl-7H-purin-8(9H)-one
Systematic Name English
8H-Purin-8-one, 6-amino-2-[1-[(2-fluorophenyl)methyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]-7,9-dihydro-7,9-dimethyl-
Systematic Name English
Riociguat impurity 14
Common Name English
Code System Code Type Description
FDA UNII
J45JKS4L5H
Created by admin on Wed Apr 02 17:45:05 GMT 2025 , Edited by admin on Wed Apr 02 17:45:05 GMT 2025
PRIMARY
CAS
1361569-23-4
Created by admin on Wed Apr 02 17:45:05 GMT 2025 , Edited by admin on Wed Apr 02 17:45:05 GMT 2025
PRIMARY
PUBCHEM
66613923
Created by admin on Wed Apr 02 17:45:05 GMT 2025 , Edited by admin on Wed Apr 02 17:45:05 GMT 2025
PRIMARY