RKQ

4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine

Created:	2020-10-01
Last modified:	2021-05-26

Find Related PDB Entry
1 entries where RKQ is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	47
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	22

2D diagram of RKQ

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Systematic Name (OpenEye OEToolkits)	4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
Formula	C₂₀ H₂₀ N₆ O
Molecular Weight	360.412
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(N)nc(N)c4
SMILES	OpenEye OEToolkits	2.0.7	Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N
Canonical SMILES	CACTVS	3.385	Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(N)nc(N)c4
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(nc(c4)N)N
InChI	InChI	1.03	InChI=1S/C20H20N6O/c1-13-23-17-8-7-16(14-11-18(21)25-19(22)12-14)24-20(17)26(13)9-10-27-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H4,21,22,25)
InChIKey	InChI	1.03	XQMMPFLQOCIGRW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135335939

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.