DZ9

3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide

Created:2009-05-12
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count37
Chiral Atom Count0
Bond Count40
Aromatic Bond Count22
2D diagram of DZ9

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Chemical Component Summary

Name3-amino-N-(3-fluorophenyl)-6-thiophen-2-ylthieno[2,3-b]pyridine-2-carboxamide
Systematic Name (OpenEye OEToolkits)3-amino-N-(3-fluorophenyl)-6-thiophen-2-yl-thieno[5,4-b]pyridine-2-carboxamide
FormulaC18 H12 F N3 O S2
Molecular Weight369.436
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Fc1cccc(c1)NC(=O)c3sc2nc(ccc2c3N)c4sccc4
SMILESCACTVS3.341Nc1c(sc2nc(ccc12)c3sccc3)C(=O)Nc4cccc(F)c4
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N
Canonical SMILESCACTVS3.341 Nc1c(sc2nc(ccc12)c3sccc3)C(=O)Nc4cccc(F)c4
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(cc(c1)F)NC(=O)c2c(c3ccc(nc3s2)c4cccs4)N
InChIInChI1.03 InChI=1S/C18H12FN3OS2/c19-10-3-1-4-11(9-10)21-17(23)16-15(20)12-6-7-13(22-18(12)25-16)14-5-2-8-24-14/h1-9H,20H2,(H,21,23)
InChIKeyInChI1.03 UCTSEHMMSSIODN-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 3289443
ChEMBL CHEMBL1084955