IEQ

~{N}-(5-methyl-4-phenoxy-2-propan-2-yl-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide

Created:	2022-03-14
Last modified:	2022-10-12

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1 entries where IEQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	0
Bond Count	56
Aromatic Bond Count	22

2D diagram of IEQ

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Chemical Component Summary
Name	~{N}-(5-methyl-4-phenoxy-2-propan-2-yl-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(5-methyl-4-phenoxy-2-propan-2-yl-phenyl)-2-oxidanyl-pyrazolo[1,5-a]pyridine-3-carboxamide
Formula	C₂₄ H₂₃ N₃ O₃
Molecular Weight	401.458
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)c1cc(Oc2ccccc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(cc1Oc2ccccc2)C(C)C)NC(=O)c3c4ccccn4nc3O
Canonical SMILES	CACTVS	3.385	CC(C)c1cc(Oc2ccccc2)c(C)cc1NC(=O)c3c(O)nn4ccccc34
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(cc1Oc2ccccc2)C(C)C)NC(=O)c3c4ccccn4nc3O
InChI	InChI	1.06	InChI=1S/C24H23N3O3/c1-15(2)18-14-21(30-17-9-5-4-6-10-17)16(3)13-19(18)25-23(28)22-20-11-7-8-12-27(20)26-24(22)29/h4-15H,1-3H3,(H,25,28)(H,26,29)
InChIKey	InChI	1.06	JABKJLQKEVJGOT-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	146269042

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