methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate

C17H16N2O4 — CID 117256766

IUPACmethyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(COc3ccc(OC)cc3)nc12
InChIInChI=1S/C17H16N2O4/c1-21-13-5-7-14(8-6-13)23-11-12-10-19-9-3-4-15(16(19)18-12)17(20)22-2/h3-10H,11H2,1-2H3
InChIKeyQCVKJSLHEDWZET-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.71
Rot. Bonds5

About methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate

methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 117256766) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID117256766
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(COc3ccc(OC)cc3)nc12
InChIInChI=1S/C17H16N2O4/c1-21-13-5-7-14(8-6-13)23-11-12-10-19-9-3-4-15(16(19)18-12)17(20)22-2/h3-10H,11H2,1-2H3
InChIKeyQCVKJSLHEDWZET-UHFFFAOYSA-N
XLogP2.71
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256742
methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117137405
methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 95612525
methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 56781581
N'-(4-methoxybenzoyl)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzohydrazide
CID 24653958
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256154
1-[4-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]ethanone
CID 82529673
N-methoxy-N-methyl-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
CID 134028089
8-bromo-2-[(4-methylphenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256691
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255839
methyl 2-[(4-hydroxyphenoxy)methyl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 117258112

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate (CID 117256766) is methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2cc(COc3ccc(OC)cc3)nc12.
What is the InChIKey of methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is QCVKJSLHEDWZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-13-5-7-14(8-6-13)23-11-12-10-19-9-3-4-15(16(19)18-12)17(20)22-2/h3-10H,11H2,1-2H3.
What are the key properties of methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 312.33 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 117256766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).