methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

C20H16N2O2S — CID 51359845

IUPACmethyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(Cc3ccsc3)n2c1
InChIInChI=1S/C20H16N2O2S/c1-24-20(23)16-7-8-18-21-19(15-5-3-2-4-6-15)17(22(18)12-16)11-14-9-10-25-13-14/h2-10,12-13H,11H2,1H3
InChIKeyZZJFDYJCEUBFSE-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.44
Rot. Bonds4

About methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359845) has the molecular formula C20H16N2O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359845
Molecular FormulaC20H16N2O2S
Molecular Weight348.43 g/mol
Exact Mass348.09
IUPAC Namemethyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(Cc3ccsc3)n2c1
InChIInChI=1S/C20H16N2O2S/c1-24-20(23)16-7-8-18-21-19(15-5-3-2-4-6-15)17(22(18)12-16)11-14-9-10-25-13-14/h2-10,12-13H,11H2,1H3
InChIKeyZZJFDYJCEUBFSE-UHFFFAOYSA-N
XLogP4.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 51359845) is methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccccc3)c(Cc3ccsc3)n2c1.
What is the InChIKey of methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is ZZJFDYJCEUBFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2S/c1-24-20(23)16-7-8-18-21-19(15-5-3-2-4-6-15)17(22(18)12-16)11-14-9-10-25-13-14/h2-10,12-13H,11H2,1H3.
What are the key properties of methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 348.43 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).