riociguat

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 38
Total Number of Articles : 33
PubChem 11304743
Molecular Formula

C20H19FN8O2

SMILES

CN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC

InChI

InChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)

synonyms
  • Riociguat
  • 625115-55-1
  • Adempas
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Properties
Property Value
MW 422.4 g/mol
HBD 2
HBA 9
Rotatable Bond Count 5
Exact Mass 422.16150004 g/mol
Monoisotopic Mass 422.16150004 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 618
xlogp 1.6
Topological Polar Surface Area 138