XZS

N-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide



Chemical Component Summary

NameN-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-2-methylpropane-2-sulfonamide
Identifiers~{N}-[5-[[2-[[3,5-bis(fluoranyl)-4-(1-methylpiperidin-4-yl)phenyl]amino]-5-methyl-pyrimidin-4-yl]amino]-2-fluoranyl-phenyl]-2-methyl-propane-2-sulfonamide
FormulaC27 H33 F3 N6 O2 S
Molecular Weight562.65
TypeNON-POLYMER
Isomeric SMILESCc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C)F)Nc3cc(c(c(c3)F)C4CCN(CC4)C)F
InChIInChI=1S/C27H33F3N6O2S/c1-16-15-31-26(33-19-12-21(29)24(22(30)13-19)17-8-10-36(5)11-9-17)34-25(16)32-18-6-7-20(28)23(14-18)35-39(37,38)27(2,3)4/h6-7,12-15,17,35H,8-11H2,1-5H3,(H2,31,32,33,34)
InChIKeyYJTYYXRVQGLUFN-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count72
Chiral Atom Count0
Bond Count75
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 149370917