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

C24H21BrN2O3 — CID 51359006

IUPACmethyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3ccc(OC)cc3C)n2c1
InChIInChI=1S/C24H21BrN2O3/c1-15-11-20(29-2)9-7-16(15)13-21-23(17-5-4-6-19(25)12-17)26-22-10-8-18(14-27(21)22)24(28)30-3/h4-12,14H,13H2,1-3H3
InChIKeyKUMKZPRLNZILNS-UHFFFAOYSA-N
MW465.35 g/mol
LogP5.46
Rot. Bonds5

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

methyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359006) has the molecular formula C24H21BrN2O3 and a molecular weight of 465.35 g/mol. Its IUPAC name is methyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359006
Molecular FormulaC24H21BrN2O3
Molecular Weight465.35 g/mol
Exact Mass464.07
IUPAC Namemethyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3ccc(OC)cc3C)n2c1
InChIInChI=1S/C24H21BrN2O3/c1-15-11-20(29-2)9-7-16(15)13-21-23(17-5-4-6-19(25)12-17)26-22-10-8-18(14-27(21)22)24(28)30-3/h4-12,14H,13H2,1-3H3
InChIKeyKUMKZPRLNZILNS-UHFFFAOYSA-N
XLogP5.46
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.35
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 51359006) is methyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3cccc(Br)c3)c(Cc3ccc(OC)cc3C)n2c1.
What is the InChIKey of methyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is KUMKZPRLNZILNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN2O3/c1-15-11-20(29-2)9-7-16(15)13-21-23(17-5-4-6-19(25)12-17)26-22-10-8-18(14-27(21)22)24(28)30-3/h4-12,14H,13H2,1-3H3.
What are the key properties of methyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(3-bromophenyl)-3-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 465.35 g/mol, XLogP of 5.46, 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-[(4-methoxy-2-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).