methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate

C22H17FN2O2 — CID 53299477

IUPACmethyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(Cc3cccc(F)c3)n2c1
InChIInChI=1S/C22H17FN2O2/c1-27-22(26)17-10-11-20-24-21(16-7-3-2-4-8-16)19(25(20)14-17)13-15-6-5-9-18(23)12-15/h2-12,14H,13H2,1H3
InChIKeyWEPFRHLUQDLNTB-UHFFFAOYSA-N
MW360.39 g/mol
LogP4.52
Rot. Bonds4

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

methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 53299477) has the molecular formula C22H17FN2O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
PubChem CID53299477
Molecular FormulaC22H17FN2O2
Molecular Weight360.39 g/mol
Exact Mass360.13
IUPAC Namemethyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3ccccc3)c(Cc3cccc(F)c3)n2c1
InChIInChI=1S/C22H17FN2O2/c1-27-22(26)17-10-11-20-24-21(16-7-3-2-4-8-16)19(25(20)14-17)13-15-6-5-9-18(23)12-15/h2-12,14H,13H2,1H3
InChIKeyWEPFRHLUQDLNTB-UHFFFAOYSA-N
XLogP4.52
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(3-fluorophenyl)methyl]-2-propylimidazo[1,2-a]pyridine-6-carboxylate
CID 51359967
methyl 2-(3-chlorophenyl)-3-[(2-methoxyphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 51359973
methyl 3-[(3-chlorophenyl)methyl]-2-(furan-2-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 53299524
6-chloro-3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 51360074
methyl 3-fluoro-4-[(3-fluorophenyl)methyl]benzoate
CID 67973755
methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate
CID 90383278
ethane;methyl 6-[(3-fluorophenyl)methyl]pyridine-3-carboxylate
CID 91575193
2-[2-(4-ethylphenyl)-6-fluoroimidazo[1,2-a]pyridin-3-yl]acetic acid
CID 82060601
3-[(3-fluorophenyl)methyl]-2-(4-methylphenyl)imidazo[2,1-a]isoquinoline
CID 51359368
methyl 3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384667
methyl 4-[(3-fluorophenyl)methyl]isoquinoline-3-carboxylate
CID 67248979
ethyl 4-oxo-2-phenyl-3-(trifluoromethyl)pyrido[1,2-a]pyrimidine-7-carboxylate
CID 172561000

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate (CID 53299477) is methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3ccccc3)c(Cc3cccc(F)c3)n2c1.
What is the InChIKey of methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is WEPFRHLUQDLNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2/c1-27-22(26)17-10-11-20-24-21(16-7-3-2-4-8-16)19(25(20)14-17)13-15-6-5-9-18(23)12-15/h2-12,14H,13H2,1H3.
What are the key properties of methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate?
methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 360.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 53299477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).