Chemical Component Summary

NameN-(3-{[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl}pyridin-2-yl)-N-methylmethanesulfonamide
IdentifiersN-[3-[[(5-cyano-2-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]pyridin-2-yl]-N-methyl-methanesulfonamide
FormulaC22 H20 N6 O2 S
Molecular Weight432.498
TypeNON-POLYMER
Isomeric SMILESCN(c1c(cccn1)CNc2c3cc([nH]c3ncc2C#N)c4ccccc4)S(=O)(=O)C
InChIInChI=1S/C22H20N6O2S/c1-28(31(2,29)30)22-16(9-6-10-24-22)13-25-20-17(12-23)14-26-21-18(20)11-19(27-21)15-7-4-3-5-8-15/h3-11,14H,13H2,1-2H3,(H2,25,26,27)
InChIKeyIFWXGGDEGREJOB-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count54
Aromatic Bond Count22

Related Resource References

Resource NameReference
PubChem 71277531
ChEMBL CHEMBL2315579