ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate

C26H20N2O2S — CID 71699385

IUPACethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(-c3ccsc3)cn2c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H20N2O2S/c1-2-30-26(29)24-25(20-10-6-9-19(15-20)18-7-4-3-5-8-18)28-16-21(11-12-23(28)27-24)22-13-14-31-17-22/h3-17H,2H2,1H3
InChIKeyDZQHDRQBQZMTCO-UHFFFAOYSA-N
MW424.53 g/mol
LogP6.57
Rot. Bonds5

About ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate

ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 71699385) has the molecular formula C26H20N2O2S and a molecular weight of 424.53 g/mol. Its IUPAC name is ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate
PubChem CID71699385
Molecular FormulaC26H20N2O2S
Molecular Weight424.53 g/mol
Exact Mass424.12
IUPAC Nameethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)c1nc2ccc(-c3ccsc3)cn2c1-c1cccc(-c2ccccc2)c1
InChIInChI=1S/C26H20N2O2S/c1-2-30-26(29)24-25(20-10-6-9-19(15-20)18-7-4-3-5-8-18)28-16-21(11-12-23(28)27-24)22-13-14-31-17-22/h3-17H,2H2,1H3
InChIKeyDZQHDRQBQZMTCO-UHFFFAOYSA-N
XLogP6.57
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.53
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
ethyl 2-(6-phenylpyrrolo[2,3-b]pyrazin-5-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 118712842
Benzyl 7-methyl-2-phenyl-imidazo[1,2-a]pyridine-3-carboxylate
CID 57384113
Benzyl 2,6-dimethylimidazo[1,2-a]pyridine-3-carboxylate
CID 118706489
Ethyl 2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 10802698
6-Methyl-2-p-tolyl-imidazo[1,2-a]pyridine-3-carboxylic acid ethyl ester
CID 10589884
Methyl 2-phenyl-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359845
Methyl 2-(4-methylphenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359846
Methyl 2-(4-fluorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359847

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate (CID 71699385) is ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1nc2ccc(-c3ccsc3)cn2c1-c1cccc(-c2ccccc2)c1.
What is the InChIKey of ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is DZQHDRQBQZMTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2S/c1-2-30-26(29)24-25(20-10-6-9-19(15-20)18-7-4-3-5-8-18)28-16-21(11-12-23(28)27-24)22-13-14-31-17-22/h3-17H,2H2,1H3.
What are the key properties of ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate?
ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 424.53 g/mol, XLogP of 6.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-phenylphenyl)-6-thiophen-3-ylimidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 71699385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).