FQM

5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide

Created:	2018-04-13
Last modified:	2018-05-02

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1 entries where FQM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	51
Aromatic Bond Count	23

2D diagram of FQM

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Chemical Component Summary
Name	5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
Systematic Name (OpenEye OEToolkits)	5-[[5-(6-azanylpyridin-2-yl)-2-chloranyl-phenyl]carbonylamino]-1-phenyl-pyrazole-3-carboxamide
Formula	C₂₂ H₁₇ Cl N₆ O₂
Molecular Weight	432.862
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1ccc(cc1)n2c(cc(C(=O)N)n2)NC(c3cc(ccc3Cl)c4cccc(n4)N)=O
SMILES	CACTVS	3.385	NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)c3cccc(N)n3)n(n1)c4ccccc4
SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c4cccc(n4)N
Canonical SMILES	CACTVS	3.385	NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)c3cccc(N)n3)n(n1)c4ccccc4
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1ccc(cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c4cccc(n4)N
InChI	InChI	1.03	InChI=1S/C22H17ClN6O2/c23-16-10-9-13(17-7-4-8-19(24)26-17)11-15(16)22(31)27-20-12-18(21(25)30)28-29(20)14-5-2-1-3-6-14/h1-12H,(H2,24,26)(H2,25,30)(H,27,31)
InChIKey	InChI	1.03	YVUMGRGBUXDTQI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	118456253

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