tofacitinib

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 320
Total Number of Articles : 456
PubChem 9926791
Molecular Formula

C16H20N6O

SMILES

C[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3)C(=O)CC#N

InChI

InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1

synonyms
  • Tofacitinib
  • 477600-75-2
  • Tasocitinib
Click to show/hide the synonyms
Properties
Property Value
MW 312.37 g/mol
HBD 1
HBA 5
Rotatable Bond Count 3
Exact Mass 312.16985928 g/mol
Monoisotopic Mass 312.16985928 g/mol
Heavy Atom Count 23
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 488
xlogp 1.5
Topological Polar Surface Area 88.9