V04

4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide

Created:2012-01-11
Last modified:  2012-01-11

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count41
Aromatic Bond Count16
2D diagram of V04

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Chemical Component Summary

Name4-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)-1H-indazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)4-[(2-fluoranyl-4-iodanyl-phenyl)amino]-N-(2-hydroxyethyloxy)-1H-indazole-5-carboxamide
FormulaC16 H14 F I N4 O3
Molecular Weight456.21
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Ic1ccc(c(F)c1)Nc2c(ccc3c2cnn3)C(=O)NOCCO
SMILESCACTVS3.370OCCONC(=O)c1ccc2[nH]ncc2c1Nc3ccc(I)cc3F
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1I)F)Nc2c(ccc3c2cn[nH]3)C(=O)NOCCO
Canonical SMILESCACTVS3.370 OCCONC(=O)c1ccc2[nH]ncc2c1Nc3ccc(I)cc3F
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(c(cc1I)F)Nc2c(ccc3c2cn[nH]3)C(=O)NOCCO
InChIInChI1.03 InChI=1S/C16H14FIN4O3/c17-12-7-9(18)1-3-14(12)20-15-10(16(24)22-25-6-5-23)2-4-13-11(15)8-19-21-13/h1-4,7-8,20,23H,5-6H2,(H,19,21)(H,22,24)
InChIKeyInChI1.03 YMRXJLXWVAGVBT-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2087076
PubChem 44545708
ChEMBL CHEMBL2087076