ELW

5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide

Created:2018-03-29
Last modified:  2018-07-04

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count1
Bond Count46
Aromatic Bond Count16
2D diagram of ELW
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Chemical Component Summary

Name5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)5-fluoranyl-1-[4-[2-[(3~{R})-1-methyl-3-oxidanyl-2-oxidanylidene-pyrrol-3-yl]ethynyl]pyridin-2-yl]indazole-3-carboxamide
FormulaC20 H14 F N5 O3
Molecular Weight391.355
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CN1C=C[C](O)(C#Cc2ccnc(c2)n3nc(C(N)=O)c4cc(F)ccc34)C1=O
SMILESOpenEye OEToolkits2.0.6CN1C=CC(C1=O)(C#Cc2ccnc(c2)n3c4ccc(cc4c(n3)C(=O)N)F)O
Canonical SMILESCACTVS3.385 CN1C=C[C@@](O)(C#Cc2ccnc(c2)n3nc(C(N)=O)c4cc(F)ccc34)C1=O
Canonical SMILESOpenEye OEToolkits2.0.6 CN1C=C[C@](C1=O)(C#Cc2ccnc(c2)n3c4ccc(cc4c(n3)C(=O)N)F)O
InChIInChI1.03 InChI=1S/C20H14FN5O3/c1-25-9-7-20(29,19(25)28)6-4-12-5-8-23-16(10-12)26-15-3-2-13(21)11-14(15)17(24-26)18(22)27/h2-3,5,7-11,29H,1H3,(H2,22,27)/t20-/m0/s1
InChIKeyInChI1.03 ZZMZSZVGWQGKCR-FQEVSTJZSA-N

Related Resource References

Resource NameReference
PubChem 137349262