Chemical Component Summary

NameN-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide
IdentifiersN-[4-[4-[3-[[2,5-bis(fluoranyl)phenyl]sulfonylamino]-2-fluoranyl-phenyl]-2-(1-cyclopropylpiperidin-4-yl)-1,3-thiazol-5-yl]pyridin-2-yl]ethanamide
FormulaC30 H28 F3 N5 O3 S2
Molecular Weight627.7
TypeNON-POLYMER
Isomeric SMILESCC(=O)Nc1cc(ccn1)c2c(nc(s2)C3CCN(CC3)C4CC4)c5cccc(c5F)NS(=O)(=O)c6cc(ccc6F)F
InChIInChI=1S/C30H28F3N5O3S2/c1-17(39)35-26-15-19(9-12-34-26)29-28(36-30(42-29)18-10-13-38(14-11-18)21-6-7-21)22-3-2-4-24(27(22)33)37-43(40,41)25-16-20(31)5-8-23(25)32/h2-5,8-9,12,15-16,18,21,37H,6-7,10-11,13-14H2,1H3,(H,34,35,39)
InChIKeyWXOCHOSJBRDQIZ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count71
Chiral Atom Count0
Bond Count76
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 60168927