methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate

C13H10N2O2S — CID 117137140

IUPACmethyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(-c3cccs3)nc12
InChIInChI=1S/C13H10N2O2S/c1-17-13(16)9-4-2-6-15-8-10(14-12(9)15)11-5-3-7-18-11/h2-8H,1H3
InChIKeyDLKVBTFNYUPXLG-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.85
Rot. Bonds2

About methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate

methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate (PubChem CID 117137140) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate
PubChem CID117137140
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Namemethyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2cc(-c3cccs3)nc12
InChIInChI=1S/C13H10N2O2S/c1-17-13(16)9-4-2-6-15-8-10(14-12(9)15)11-5-3-7-18-11/h2-8H,1H3
InChIKeyDLKVBTFNYUPXLG-UHFFFAOYSA-N
XLogP2.85
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(4-chlorophenyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137725
methyl 2-(thiolan-3-yl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117135873
methyl 2-piperidin-4-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117136001
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256766
methyl 2-(1-ethylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117136523
methyl 2-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117137405
ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
methyl 5-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82565529
methyl 2-(2-piperidin-1-ylethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117137830
methyl 3-amino-6-thiophen-2-ylpyridine-2-carboxylate
CID 167489425
methyl 2-[(1-ethyl-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carbonyl)amino]benzoate
CID 24592343
methyl 2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylate
CID 117256742

Frequently Asked Questions

What is the IUPAC name of methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate?
The IUPAC name of methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate (CID 117137140) is methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate is COC(=O)c1cccn2cc(-c3cccs3)nc12.
What is the InChIKey of methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate?
The InChIKey is DLKVBTFNYUPXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-13(16)9-4-2-6-15-8-10(14-12(9)15)11-5-3-7-18-11/h2-8H,1H3.
What are the key properties of methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate?
methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate has a molecular weight of 258.30 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-thiophen-2-ylimidazo[1,2-a]pyridine-8-carboxylate is sourced from PubChem (CID 117137140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).