1XD

N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide

Created:	2013-07-24
Last modified:	2014-06-11

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1 entries where 1XD is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	48
Aromatic Bond Count	22

2D diagram of 1XD

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Chemical Component Summary
Name	N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}imidazo[1,2-a]pyridine-7-carboxamide
Systematic Name (OpenEye OEToolkits)	N-[[4-[3,5-bis(fluoranyl)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-7-carboxamide
Formula	C₂₁ H₁₅ F₂ N₃ O₃ S
Molecular Weight	427.424
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc4nccn4cc3
SMILES	CACTVS	3.385	Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccn4ccnc4c3)cc2
SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F
Canonical SMILES	CACTVS	3.385	Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccn4ccnc4c3)cc2
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1cc(ccc1CNC(=O)c2ccn3ccnc3c2)S(=O)(=O)c4cc(cc(c4)F)F
InChI	InChI	1.03	InChI=1S/C21H15F2N3O3S/c22-16-10-17(23)12-19(11-16)30(28,29)18-3-1-14(2-4-18)13-25-21(27)15-5-7-26-8-6-24-20(26)9-15/h1-12H,13H2,(H,25,27)
InChIKey	InChI	1.03	YECCIJSXGJHBSG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	66611965

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