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

C23H19FN2O2 — CID 53299416

IUPACmethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccc(C)cc3)n2c1
InChIInChI=1S/C23H19FN2O2/c1-15-3-5-16(6-4-15)13-20-22(17-7-10-19(24)11-8-17)25-21-12-9-18(14-26(20)21)23(27)28-2/h3-12,14H,13H2,1-2H3
InChIKeyRGHDZLFIJHGEBT-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.83
Rot. Bonds4

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

methyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299416) has the molecular formula C23H19FN2O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299416
Molecular FormulaC23H19FN2O2
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Namemethyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccc(C)cc3)n2c1
InChIInChI=1S/C23H19FN2O2/c1-15-3-5-16(6-4-15)13-20-22(17-7-10-19(24)11-8-17)25-21-12-9-18(14-26(20)21)23(27)28-2/h3-12,14H,13H2,1-2H3
InChIKeyRGHDZLFIJHGEBT-UHFFFAOYSA-N
XLogP4.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate (CID 53299416) is methyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccc(C)cc3)n2c1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is RGHDZLFIJHGEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O2/c1-15-3-5-16(6-4-15)13-20-22(17-7-10-19(24)11-8-17)25-21-12-9-18(14-26(20)21)23(27)28-2/h3-12,14H,13H2,1-2H3.
What are the key properties of methyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 374.42 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-3-[(4-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).