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

C25H24N2O3 — CID 53299377

IUPACmethyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccc(OC)cc3C)n2c1
InChIInChI=1S/C25H24N2O3/c1-16-5-7-18(8-6-16)24-22(14-19-9-11-21(29-3)13-17(19)2)27-15-20(25(28)30-4)10-12-23(27)26-24/h5-13,15H,14H2,1-4H3
InChIKeyQZAALZFUKGZKNS-UHFFFAOYSA-N
MW400.48 g/mol
LogP5.00
Rot. Bonds5

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

methyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299377) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is methyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299377
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Namemethyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccc(OC)cc3C)n2c1
InChIInChI=1S/C25H24N2O3/c1-16-5-7-18(8-6-16)24-22(14-19-9-11-21(29-3)13-17(19)2)27-15-20(25(28)30-4)10-12-23(27)26-24/h5-13,15H,14H2,1-4H3
InChIKeyQZAALZFUKGZKNS-UHFFFAOYSA-N
XLogP5.00
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.48
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 53299377) is methyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccc(OC)cc3C)n2c1.
What is the InChIKey of methyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is QZAALZFUKGZKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c1-16-5-7-18(8-6-16)24-22(14-19-9-11-21(29-3)13-17(19)2)27-15-20(25(28)30-4)10-12-23(27)26-24/h5-13,15H,14H2,1-4H3.
What are the key properties of methyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 400.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methoxy-2-methylphenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).