QGI

(1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

Created:	2022-06-09
Last modified:	2022-07-27

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1 entries where QGI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	44
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	16

2D diagram of QGI

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Chemical Component Summary
Name	(1P)-2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-5,6-dimethyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
Systematic Name (OpenEye OEToolkits)	2-azanyl-1-(2,6-dimethyl-3-oxidanyl-phenyl)-5,6-dimethyl-pyrrolo[2,3-b]pyridine-3-carboxamide
Formula	C₁₈ H₂₀ N₄ O₂
Molecular Weight	324.377
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(=O)c1c2cc(C)c(C)nc2n(c1N)c1c(C)ccc(O)c1C
SMILES	CACTVS	3.385	Cc1cc2c(nc1C)n(c(N)c2C(N)=O)c3c(C)ccc(O)c3C
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1n2c(c(c3c2nc(c(c3)C)C)C(=O)N)N)C)O
Canonical SMILES	CACTVS	3.385	Cc1cc2c(nc1C)n(c(N)c2C(N)=O)c3c(C)ccc(O)c3C
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1ccc(c(c1n2c(c(c3c2nc(c(c3)C)C)C(=O)N)N)C)O
InChI	InChI	1.03	InChI=1S/C18H20N4O2/c1-8-5-6-13(23)10(3)15(8)22-16(19)14(17(20)24)12-7-9(2)11(4)21-18(12)22/h5-7,23H,19H2,1-4H3,(H2,20,24)
InChIKey	InChI	1.03	ARBRHWRTXPWZGN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	156869388

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.