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

C23H19ClN2O3 — CID 51359802

IUPACmethyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccccc3OC)n2c1
InChIInChI=1S/C23H19ClN2O3/c1-28-20-6-4-3-5-16(20)13-19-22(15-7-10-18(24)11-8-15)25-21-12-9-17(14-26(19)21)23(27)29-2/h3-12,14H,13H2,1-2H3
InChIKeyLYKHSSNDMFULMX-UHFFFAOYSA-N
MW406.87 g/mol
LogP5.04
Rot. Bonds5

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

methyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359802) has the molecular formula C23H19ClN2O3 and a molecular weight of 406.87 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359802
Molecular FormulaC23H19ClN2O3
Molecular Weight406.87 g/mol
Exact Mass406.11
IUPAC Namemethyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccccc3OC)n2c1
InChIInChI=1S/C23H19ClN2O3/c1-28-20-6-4-3-5-16(20)13-19-22(15-7-10-18(24)11-8-15)25-21-12-9-17(14-26(19)21)23(27)29-2/h3-12,14H,13H2,1-2H3
InChIKeyLYKHSSNDMFULMX-UHFFFAOYSA-N
XLogP5.04
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.87
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 51359802) is methyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3ccccc3OC)n2c1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is LYKHSSNDMFULMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3/c1-28-20-6-4-3-5-16(20)13-19-22(15-7-10-18(24)11-8-15)25-21-12-9-17(14-26(19)21)23(27)29-2/h3-12,14H,13H2,1-2H3.
What are the key properties of methyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(4-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 406.87 g/mol, XLogP of 5.04, 5 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-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).