LC3

7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid

Created: 2013-10-04
Last modified:  2013-11-27

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Chemical Details

Formal Charge0
Atom Count57
Chiral Atom Count0
Bond Count61
Aromatic Bond Count27
2D diagram of LC3
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Chemical Component Summary

Name7-(4-carboxyphenyl)-3-[3-(naphthalen-1-yloxy)propyl]pyrazolo[1,5-a]pyridine-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)7-(4-carboxyphenyl)-3-(3-naphthalen-1-yloxypropyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
FormulaC28 H22 N2 O5
Molecular Weight466.485
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C(O)c5ccc(c1cccc2c(c(nn12)C(=O)O)CCCOc4c3ccccc3ccc4)cc5
SMILESCACTVS3.385OC(=O)c1ccc(cc1)c2cccc3n2nc(C(O)=O)c3CCCOc4cccc5ccccc45
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O
Canonical SMILESCACTVS3.385 OC(=O)c1ccc(cc1)c2cccc3n2nc(C(O)=O)c3CCCOc4cccc5ccccc45
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc2c(c1)cccc2OCCCc3c4cccc(n4nc3C(=O)O)c5ccc(cc5)C(=O)O
InChIInChI1.03 InChI=1S/C28H22N2O5/c31-27(32)20-15-13-19(14-16-20)23-10-4-11-24-22(26(28(33)34)29-30(23)24)9-5-17-35-25-12-3-7-18-6-1-2-8-21(18)25/h1-4,6-8,10-16H,5,9,17H2,(H,31,32)(H,33,34)
InChIKeyInChI1.03 ONFKCHIVKBXORY-UHFFFAOYSA-N

Related Resource References

Resource NameReference
Pharos CHEMBL3126113
PubChem 72793103
ChEMBL CHEMBL3126113