R61

2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione


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Chemical Component Summary

Name2-{5-[(2-{[3,5-difluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]-2-fluorophenyl}-1lambda~6~,2-thiazolidine-1,1-dione
Identifiers~{N}2-[3,5-bis(fluoranyl)-4-(1-methylpiperidin-4-yl)phenyl]-~{N}4-[3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]-4-fluoranyl-phenyl]-5-methyl-pyrimidine-2,4-diamine
FormulaC26 H29 F3 N6 O2 S
Molecular Weight546.608
TypeNON-POLYMER
Isomeric SMILESCc1cnc(nc1Nc2ccc(c(c2)N3CCCS3(=O)=O)F)Nc4cc(c(c(c4)F)C5CCN(CC5)C)F
InChIInChI=1S/C26H29F3N6O2S/c1-16-15-30-26(32-19-12-21(28)24(22(29)13-19)17-6-9-34(2)10-7-17)33-25(16)31-18-4-5-20(27)23(14-18)35-8-3-11-38(35,36)37/h4-5,12-15,17H,3,6-11H2,1-2H3,(H2,30,31,32,33)
InChIKeyYFAXWSXYQLAMER-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count67
Chiral Atom Count0
Bond Count71
Aromatic Bond Count18

Related Resource References

Resource NameReference
PubChem 155570098