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

C22H16ClFN2O2 — CID 51359798

IUPACmethyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3cccc(F)c3)n2c1
InChIInChI=1S/C22H16ClFN2O2/c1-28-22(27)16-7-10-20-25-21(15-5-8-17(23)9-6-15)19(26(20)13-16)12-14-3-2-4-18(24)11-14/h2-11,13H,12H2,1H3
InChIKeyNRZBIMHWCCCPNW-UHFFFAOYSA-N
MW394.83 g/mol
LogP5.17
Rot. Bonds4

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

methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 51359798) has the molecular formula C22H16ClFN2O2 and a molecular weight of 394.83 g/mol. Its IUPAC name is methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID51359798
Molecular FormulaC22H16ClFN2O2
Molecular Weight394.83 g/mol
Exact Mass394.09
IUPAC Namemethyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3cccc(F)c3)n2c1
InChIInChI=1S/C22H16ClFN2O2/c1-28-22(27)16-7-10-20-25-21(15-5-8-17(23)9-6-15)19(26(20)13-16)12-14-3-2-4-18(24)11-14/h2-11,13H,12H2,1H3
InChIKeyNRZBIMHWCCCPNW-UHFFFAOYSA-N
XLogP5.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.83
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)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-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 51359798) is methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c(Cc3cccc(F)c3)n2c1.
What is the InChIKey of methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is NRZBIMHWCCCPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O2/c1-28-22(27)16-7-10-20-25-21(15-5-8-17(23)9-6-15)19(26(20)13-16)12-14-3-2-4-18(24)11-14/h2-11,13H,12H2,1H3.
What are the key properties of methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 394.83 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-chlorophenyl)-3-[(3-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 51359798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).