6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 50
Total Number of Articles : 60
PubChem 11612883
Molecular Formula

C22H20F3N5O3S

SMILES

CS(=O)(=O)C1=CC=CC(=C1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)CC4

InChI

InChI=1S/C22H20F3N5O3S/c1-34(32,33)16-4-2-3-13(9-16)11-26-20-17(22(23,24)25)12-27-21(30-20)28-15-6-7-18-14(10-15)5-8-19(31)29-18/h2-4,6-7,9-10,12H,5,8,11H2,1H3,(H,29,31)(H2,26,27,28,30)

synonyms
  • PF-573228
  • 3,4-Dihydro-6-[[4-[[[3-(methylsulfonyl)phenyl]methyl]amino]-5-(trifluoromethyl)-2-pyrimidinyl]amino]-2(1H)-quinolinone
  • 3,4-Dihydro-6-((4-(((3-(methylsulfonyl)phenyl)methyl)amino)-5-(trifluoromethyl)-2-pyrimidinyl)amino)-2(1H)-quinolinone
Click to show/hide the synonyms
Properties
Property Value
MW 491.5 g/mol
HBD 3
HBA 10
Rotatable Bond Count 6
Exact Mass 491.12389518 g/mol
Monoisotopic Mass 491.12389518 g/mol
Heavy Atom Count 34
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 822
xlogp 3.2
Topological Polar Surface Area 121