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

C23H19BrN2O3 — CID 53299482

IUPACmethyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccc3OC)n2c1
InChIInChI=1S/C23H19BrN2O3/c1-28-20-9-4-3-6-15(20)13-19-22(16-7-5-8-18(24)12-16)25-21-11-10-17(14-26(19)21)23(27)29-2/h3-12,14H,13H2,1-2H3
InChIKeyOWKUTYHCSIQGHN-UHFFFAOYSA-N
MW451.32 g/mol
LogP5.15
Rot. Bonds5

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

methyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299482) has the molecular formula C23H19BrN2O3 and a molecular weight of 451.32 g/mol. Its IUPAC name is methyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299482
Molecular FormulaC23H19BrN2O3
Molecular Weight451.32 g/mol
Exact Mass450.06
IUPAC Namemethyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccc3OC)n2c1
InChIInChI=1S/C23H19BrN2O3/c1-28-20-9-4-3-6-15(20)13-19-22(16-7-5-8-18(24)12-16)25-21-11-10-17(14-26(19)21)23(27)29-2/h3-12,14H,13H2,1-2H3
InChIKeyOWKUTYHCSIQGHN-UHFFFAOYSA-N
XLogP5.15
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.32
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 53299482) is methyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3ccccc3OC)n2c1.
What is the InChIKey of methyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is OWKUTYHCSIQGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN2O3/c1-28-20-9-4-3-6-15(20)13-19-22(16-7-5-8-18(24)12-16)25-21-11-10-17(14-26(19)21)23(27)29-2/h3-12,14H,13H2,1-2H3.
What are the key properties of methyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 451.32 g/mol, XLogP of 5.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-bromophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).