baricitinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 102
Total Number of Articles : 157
PubChem 44205240
Molecular Formula

C16H17N7O2S

SMILES

CCS(=O)(=O)N1CC(C1)(CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3

InChI

InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)

synonyms
  • Baricitinib
  • 1187594-09-7
  • olumiant
Click to show/hide the synonyms
Properties
Property Value
MW 371.4 g/mol
HBD 1
HBA 7
Rotatable Bond Count 5
Exact Mass 371.11644398 g/mol
Monoisotopic Mass 371.11644398 g/mol
Heavy Atom Count 26
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 678
xlogp -0.5
Topological Polar Surface Area 129