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

C17H16N2O3 — CID 117137405

IUPACmethyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(Cc3ccccc3OC)nc12
InChIInChI=1S/C17H16N2O3/c1-21-15-8-4-3-6-12(15)10-13-11-19-9-5-7-14(16(19)18-13)17(20)22-2/h3-9,11H,10H2,1-2H3
InChIKeyNLESWHYZTOJLJP-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.72
Rot. Bonds4

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

methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 117137405) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate
PubChem CID117137405
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Namemethyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(Cc3ccccc3OC)nc12
InChIInChI=1S/C17H16N2O3/c1-21-15-8-4-3-6-12(15)10-13-11-19-9-5-7-14(16(19)18-13)17(20)22-2/h3-9,11H,10H2,1-2H3
InChIKeyNLESWHYZTOJLJP-UHFFFAOYSA-N
XLogP2.72
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256742
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
methyl 2-(pyridin-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 56781581
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
methyl 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137725
methyl 2-[[(2R)-2-acetamido-3-methylbutanoyl]oxymethyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 95612525
2-[(4-chlorophenyl)methyl]-8-methoxyimidazo[1,2-a]pyridine
CID 117137413
methyl 6-fluoro-2-[(2-methoxyphenyl)methyl]quinoline-4-carboxylate
CID 53248940
methyl 2-(6-oxa-9-azaspiro[3.6]decan-9-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 136530911
3-(2-methoxyphenyl)-N-(2-methylimidazo[1,2-a]pyridin-8-yl)propanamide
CID 110735266
methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117136523
methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117137140

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate (CID 117137405) is methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2cc(Cc3ccccc3OC)nc12.
What is the InChIKey of methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is NLESWHYZTOJLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-21-15-8-4-3-6-12(15)10-13-11-19-9-5-7-14(16(19)18-13)17(20)22-2/h3-9,11H,10H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 296.33 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 117137405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).