Chemical Component Summary

NameN-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE
IdentifiersN-[3-(3-dimethylaminopropyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[(3-pyrimidin-4-ylpyridin-2-yl)amino]benzamide
FormulaC29 H29 F3 N6 O
Molecular Weight534.575
TypeNON-POLYMER
Isomeric SMILESCc1ccc(cc1Nc2c(cccn2)c3ccncn3)C(=O)Nc4cc(cc(c4)C(F)(F)F)CCCN(C)C
InChIInChI=1S/C29H29F3N6O/c1-19-8-9-21(16-26(19)37-27-24(7-4-11-34-27)25-10-12-33-18-35-25)28(39)36-23-15-20(6-5-13-38(2)3)14-22(17-23)29(30,31)32/h4,7-12,14-18H,5-6,13H2,1-3H3,(H,34,37)(H,36,39)
InChIKeyOHHGYJBFPVJURR-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count68
Chiral Atom Count0
Bond Count71
Aromatic Bond Count25

Related Resource References

Resource NameReference
Pharos CHEMBL221484
PubChem 11497471
ChEMBL CHEMBL221484