FI4

(2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol


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Chemical Component Summary

Name(2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol
Identifiers(2S)-1-[[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[4,5-e]pyrimidin-4-yl]amino]propan-2-ol
FormulaC20 H16 Cl F2 N5 O2
Molecular Weight431.823
TypeNON-POLYMER
Isomeric SMILESC[C@@H](CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O
InChIInChI=1S/C20H16ClF2N5O2/c1-10(29)9-24-18-16-17(12-4-2-3-5-13(12)21)27-28-19(16)26-20(25-18)30-15-7-6-11(22)8-14(15)23/h2-8,10,29H,9H2,1H3,(H2,24,25,26,27,28)/t10-/m0/s1
InChIKeyULOWCFSJXCABBL-JTQLQIEISA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count1
Bond Count49
Aromatic Bond Count23

Related Resource References

Resource NameReference
PubChem 11373838