methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

C20H15ClN2O2S — CID 53299502

IUPACmethyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccsc3)n2c1
InChIInChI=1S/C20H15ClN2O2S/c1-25-20(24)15-4-7-18-22-19(14-2-5-16(21)6-3-14)17(23(18)11-15)10-13-8-9-26-12-13/h2-9,11-12H,10H2,1H3
InChIKeyHUPZTMZUPLGSPQ-UHFFFAOYSA-N
MW382.87 g/mol
LogP5.09
Rot. Bonds4

About methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299502) has the molecular formula C20H15ClN2O2S and a molecular weight of 382.87 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299502
Molecular FormulaC20H15ClN2O2S
Molecular Weight382.87 g/mol
Exact Mass382.05
IUPAC Namemethyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccsc3)n2c1
InChIInChI=1S/C20H15ClN2O2S/c1-25-20(24)15-4-7-18-22-19(14-2-5-16(21)6-3-14)17(23(18)11-15)10-13-8-9-26-12-13/h2-9,11-12H,10H2,1H3
InChIKeyHUPZTMZUPLGSPQ-UHFFFAOYSA-N
XLogP5.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.87
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[4-(methylsulfonyl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 1482203
Methyl 3-benzyl-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359030
Methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 51359798
Methyl 2-(3-bromophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51359848
2-[(6-Chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
CID 4091566
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
Methyl 3-[(3-chlorophenyl)methyl]-2-cyclohexylimidazo[1,2-a]pyridine-6-carboxylate
CID 51360003
Methyl 2-(3-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 51360032
Methyl 3-benzyl-2-(3-chlorophenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299381
Methyl 2-(3-chlorophenyl)-3-(cyclohexylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299385

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 53299502) is methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccsc3)n2c1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is HUPZTMZUPLGSPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O2S/c1-25-20(24)15-4-7-18-22-19(14-2-5-16(21)6-3-14)17(23(18)11-15)10-13-8-9-26-12-13/h2-9,11-12H,10H2,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 382.87 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-3-(thiophen-3-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).