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

C23H19ClN2O2 — CID 53299397

IUPACmethyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3cccc(Cl)c3)n2c1
InChIInChI=1S/C23H19ClN2O2/c1-15-6-8-17(9-7-15)22-20(13-16-4-3-5-19(24)12-16)26-14-18(23(27)28-2)10-11-21(26)25-22/h3-12,14H,13H2,1-2H3
InChIKeyKTWFBZAQYCYSEI-UHFFFAOYSA-N
MW390.87 g/mol
LogP5.34
Rot. Bonds4

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

methyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299397) has the molecular formula C23H19ClN2O2 and a molecular weight of 390.87 g/mol. Its IUPAC name is methyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299397
Molecular FormulaC23H19ClN2O2
Molecular Weight390.87 g/mol
Exact Mass390.11
IUPAC Namemethyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3cccc(Cl)c3)n2c1
InChIInChI=1S/C23H19ClN2O2/c1-15-6-8-17(9-7-15)22-20(13-16-4-3-5-19(24)12-16)26-14-18(23(27)28-2)10-11-21(26)25-22/h3-12,14H,13H2,1-2H3
InChIKeyKTWFBZAQYCYSEI-UHFFFAOYSA-N
XLogP5.34
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.87
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)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 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate (CID 53299397) is methyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3cccc(Cl)c3)n2c1.
What is the InChIKey of methyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is KTWFBZAQYCYSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O2/c1-15-6-8-17(9-7-15)22-20(13-16-4-3-5-19(24)12-16)26-14-18(23(27)28-2)10-11-21(26)25-22/h3-12,14H,13H2,1-2H3.
What are the key properties of methyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 390.87 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chlorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).