QMY

6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine

Created:	2019-11-22
Last modified:	2020-02-05

Find Related PDB Entry
1 entries where QMY 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	40
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	21

2D diagram of QMY

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	6-[1-(2,2-difluoroethyl)-4-(6-methylpyridin-2-yl)-1H-imidazol-5-yl]imidazo[1,2-a]pyridine
Systematic Name (OpenEye OEToolkits)	6-[3-[2,2-bis(fluoranyl)ethyl]-5-(6-methylpyridin-2-yl)imidazol-4-yl]imidazo[1,2-a]pyridine
Formula	C₁₈ H₁₅ F₂ N₅
Molecular Weight	339.342
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C(F)F)n3c(c1ccc2n(c1)ccn2)c(nc3)c4cccc(C)n4
SMILES	CACTVS	3.385	Cc1cccc(n1)c2ncn(CC(F)F)c2c3ccc4nccn4c3
SMILES	OpenEye OEToolkits	2.0.6	Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3
Canonical SMILES	CACTVS	3.385	Cc1cccc(n1)c2ncn(CC(F)F)c2c3ccc4nccn4c3
Canonical SMILES	OpenEye OEToolkits	2.0.6	Cc1cccc(n1)c2c(n(cn2)CC(F)F)c3ccc4nccn4c3
InChI	InChI	1.03	InChI=1S/C18H15F2N5/c1-12-3-2-4-14(23-12)17-18(25(11-22-17)10-15(19)20)13-5-6-16-21-7-8-24(16)9-13/h2-9,11,15H,10H2,1H3
InChIKey	InChI	1.03	WLMJUROXDOGLTR-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	135233366

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.