methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate

C22H20N2O4 — CID 51360037

IUPACmethyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccc(OC)cc3C)n2c1
InChIInChI=1S/C22H20N2O4/c1-14-11-17(26-2)8-6-15(14)12-18-21(19-5-4-10-28-19)23-20-9-7-16(13-24(18)20)22(25)27-3/h4-11,13H,12H2,1-3H3
InChIKeyKDPPRXBQJIUZAQ-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.29
Rot. Bonds5

About methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51360037) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51360037
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Namemethyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccc(OC)cc3C)n2c1
InChIInChI=1S/C22H20N2O4/c1-14-11-17(26-2)8-6-15(14)12-18-21(19-5-4-10-28-19)23-20-9-7-16(13-24(18)20)22(25)27-3/h4-11,13H,12H2,1-3H3
InChIKeyKDPPRXBQJIUZAQ-UHFFFAOYSA-N
XLogP4.29
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 51360037) is methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccco3)c(Cc3ccc(OC)cc3C)n2c1.
What is the InChIKey of methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is KDPPRXBQJIUZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-14-11-17(26-2)8-6-15(14)12-18-21(19-5-4-10-28-19)23-20-9-7-16(13-24(18)20)22(25)27-3/h4-11,13H,12H2,1-3H3.
What are the key properties of methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 376.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(furan-2-yl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51360037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).