ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate

C18H18N2O4 — CID 42878543

IUPACethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cc(OC)ccc3OC)ccc2n1
InChIInChI=1S/C18H18N2O4/c1-4-24-18(21)15-11-20-10-12(5-8-17(20)19-15)14-9-13(22-2)6-7-16(14)23-3/h5-11H,4H2,1-3H3
InChIKeyZIMXHFSSSWMCKJ-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.20
Rot. Bonds5

About ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 42878543) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID42878543
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Nameethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1cn2cc(-c3cc(OC)ccc3OC)ccc2n1
InChIInChI=1S/C18H18N2O4/c1-4-24-18(21)15-11-20-10-12(5-8-17(20)19-15)14-9-13(22-2)6-7-16(14)23-3/h5-11H,4H2,1-3H3
InChIKeyZIMXHFSSSWMCKJ-UHFFFAOYSA-N
XLogP3.20
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 42878553
ethyl 5-(2,5-dimethoxyphenyl)-1,2-oxazole-3-carboxylate
CID 154791670
ethyl 6-[(1R)-1-methoxyethyl]imidazo[1,2-a]pyridine-2-carboxylate
CID 156793535
ethyl 6-chloroimidazo[1,2-a]pyridine-2-carboxylate;hydrobromide
CID 17389574
ethyl 6-(3-methyl-1,2-dihydrotriazol-5-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 138663394
ethyl 3-(2,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-carboxylate
CID 63381738
ethyl 6-amino-7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 14761405
6-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690144
ethyl 8-methoxy-5-propan-2-yloxyimidazo[1,2-a]quinoline-2-carboxylate
CID 12763968
ethyl 6-[bis(methylsulfonyl)amino]imidazo[1,2-a]pyridine-2-carboxylate
CID 131732205
ethyl 6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 142598184
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841

Frequently Asked Questions

What is the IUPAC name of ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate (CID 42878543) is ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2cc(-c3cc(OC)ccc3OC)ccc2n1.
What is the InChIKey of ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is ZIMXHFSSSWMCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-4-24-18(21)15-11-20-10-12(5-8-17(20)19-15)14-9-13(22-2)6-7-16(14)23-3/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 42878543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).