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

C20H15FN2O3 — CID 51359969

IUPACmethyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccco3)c(Cc3cccc(F)c3)n2c1
InChIInChI=1S/C20H15FN2O3/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
InChIKeyXCXRKNYLLJVANZ-UHFFFAOYSA-N
MW350.35 g/mol
LogP4.11
Rot. Bonds4

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

methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359969) has the molecular formula C20H15FN2O3 and a molecular weight of 350.35 g/mol. Its IUPAC name is methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359969
Molecular FormulaC20H15FN2O3
Molecular Weight350.35 g/mol
Exact Mass350.11
IUPAC Namemethyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccco3)c(Cc3cccc(F)c3)n2c1
InChIInChI=1S/C20H15FN2O3/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
InChIKeyXCXRKNYLLJVANZ-UHFFFAOYSA-N
XLogP4.11
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate (CID 51359969) is methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccco3)c(Cc3cccc(F)c3)n2c1.
What is the InChIKey of methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is XCXRKNYLLJVANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3/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-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 350.35 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-fluorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).