methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

C20H15ClN2O3 — CID 53299524

IUPACmethyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccco3)c(Cc3cccc(Cl)c3)n2c1
InChIInChI=1S/C20H15ClN2O3/c1-25-20(24)14-7-8-18-22-19(17-6-3-9-26-17)16(23(18)12-14)11-13-4-2-5-15(21)10-13/h2-10,12H,11H2,1H3
InChIKeyYRLKAKPJFWVYJH-UHFFFAOYSA-N
MW366.80 g/mol
LogP4.63
Rot. Bonds4

About methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate

methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299524) has the molecular formula C20H15ClN2O3 and a molecular weight of 366.80 g/mol. Its IUPAC name is methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299524
Molecular FormulaC20H15ClN2O3
Molecular Weight366.80 g/mol
Exact Mass366.08
IUPAC Namemethyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccco3)c(Cc3cccc(Cl)c3)n2c1
InChIInChI=1S/C20H15ClN2O3/c1-25-20(24)14-7-8-18-22-19(17-6-3-9-26-17)16(23(18)12-14)11-13-4-2-5-15(21)10-13/h2-10,12H,11H2,1H3
InChIKeyYRLKAKPJFWVYJH-UHFFFAOYSA-N
XLogP4.63
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 53299477
methyl 2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 51359973
methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359967
2-(3-chlorophenyl)-3-[(3-chlorophenyl)methyl]-6-methylimidazo[1,2-a]pyridine
CID 51359989
methyl 3-[(3-chlorophenyl)methylamino]-2-(4-imidazol-1-ylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 170937601
methyl 3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140392
[6-fluoro-2-(furan-2-yl)imidazo[1,2-a]pyridin-3-yl]methanol
CID 82060718
methyl 1-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-5-(furan-2-yl)pyrrole-2-carboxylate
CID 22522120
3-(hydroxymethyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 46224342
methyl 6-[(3-chlorophenyl)methyl]-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 56948602
(4-tert-butylphenyl)-[5-[(3-chlorophenyl)methylamino]-3-(furan-2-yl)-1,2,4-triazol-1-yl]methanone
CID 23612807
methyl 4-[(1S)-1-[[8-[(3-chlorophenyl)methyl]isoquinolin-1-yl]amino]ethyl]benzoate
CID 118887970

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 53299524) is methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccco3)c(Cc3cccc(Cl)c3)n2c1.
What is the InChIKey of methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is YRLKAKPJFWVYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O3/c1-25-20(24)14-7-8-18-22-19(17-6-3-9-26-17)16(23(18)12-14)11-13-4-2-5-15(21)10-13/h2-10,12H,11H2,1H3.
What are the key properties of methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 366.80 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).