4HZ

N~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide


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Chemical Component Summary

NameN~2~-[2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoropyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)-L-alaninamide
Identifiers(2S)-2-[[2-(5-chloranyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoranyl-pyrimidin-4-yl]amino]-N-[2,2,2-tris(fluoranyl)ethyl]propanamide
FormulaC16 H13 Cl F4 N6 O
Molecular Weight416.761
TypeNON-POLYMER
Isomeric SMILESC[C@@H](C(=O)NCC(F)(F)F)Nc1c(cnc(n1)c2c[nH]c3c2cc(cn3)Cl)F
InChIInChI=1S/C16H13ClF4N6O/c1-7(15(28)25-6-16(19,20)21)26-14-11(18)5-24-13(27-14)10-4-23-12-9(10)2-8(17)3-22-12/h2-5,7H,6H2,1H3,(H,22,23)(H,25,28)(H,24,26,27)/t7-/m0/s1
InChIKeyJWSTVRZOAIEUAO-ZETCQYMHSA-N

Chemical Details

Formal Charge0
Atom Count41
Chiral Atom Count1
Bond Count43
Aromatic Bond Count16

Related Resource References

Resource NameReference
PubChem 57597892