3V0

N-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide

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

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Chemical Details

Formal Charge0
Atom Count42
Chiral Atom Count1
Bond Count44
Aromatic Bond Count16
2D diagram of 3V0

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Chemical Component Summary

NameN-{[(2R)-2,3-dihydroxypropyl]oxy}-3-[(2-fluoro-4-iodophenyl)amino]furo[3,2-c]pyridine-2-carboxamide
Systematic Name (OpenEye OEToolkits)N-[(2R)-2,3-bis(oxidanyl)propoxy]-3-[(2-fluoranyl-4-iodanyl-phenyl)amino]furo[3,2-c]pyridine-2-carboxamide
FormulaC17 H15 F I N3 O5
Molecular Weight487.221
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Ic1ccc(c(F)c1)Nc2c3c(oc2C(=O)NOCC(O)CO)ccnc3
SMILESCACTVS3.370OC[CH](O)CONC(=O)c1oc2ccncc2c1Nc3ccc(I)cc3F
SMILESOpenEye OEToolkits1.7.6c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOCC(CO)O
Canonical SMILESCACTVS3.370 OC[C@@H](O)CONC(=O)c1oc2ccncc2c1Nc3ccc(I)cc3F
Canonical SMILESOpenEye OEToolkits1.7.6 c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOC[C@@H](CO)O
InChIInChI1.03 InChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1
InChIKeyInChI1.03 MOKOPMFVODBALH-SNVBAGLBSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL2087077
PubChem 24743899
ChEMBL CHEMBL2087077