3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine

C22H14F2N2O — CID 58404920

IUPAC3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine
SMILESCOc1cc(-c2ccccc2)cc2ncc(C#Cc3ccc(F)cc3F)n12
InChIInChI=1S/C22H14F2N2O/c1-27-22-12-17(15-5-3-2-4-6-15)11-21-25-14-19(26(21)22)10-8-16-7-9-18(23)13-20(16)24/h2-7,9,11-14H,1H3
InChIKeyOLGOEMQDTFCOGY-UHFFFAOYSA-N
MW360.36 g/mol
LogP4.69
Rot. Bonds2

About 3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine

3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine (PubChem CID 58404920) has the molecular formula C22H14F2N2O and a molecular weight of 360.36 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine
PubChem CID58404920
Molecular FormulaC22H14F2N2O
Molecular Weight360.36 g/mol
Exact Mass360.11
IUPAC Name3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine
SMILESCOc1cc(-c2ccccc2)cc2ncc(C#Cc3ccc(F)cc3F)n12
InChIInChI=1S/C22H14F2N2O/c1-27-22-12-17(15-5-3-2-4-6-15)11-21-25-14-19(26(21)22)10-8-16-7-9-18(23)13-20(16)24/h2-7,9,11-14H,1H3
InChIKeyOLGOEMQDTFCOGY-UHFFFAOYSA-N
XLogP4.69
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-7-phenyl-3-(2-phenylethynyl)imidazo[1,2-a]pyridine
CID 58404921
5-methoxy-7-phenyl-3-thiophen-3-ylimidazo[1,2-a]pyridine
CID 58404744
4-(5-methoxy-7-phenylimidazo[1,2-a]pyridin-3-yl)-1-methylidenepyrrol-1-ium-2-carboxamide
CID 123205135
1,3-difluoro-2-methoxy-5-phenylbenzene
CID 164892027
6-[2-(2,4-difluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270040
5-fluoro-4-methoxy-2-phenylpyridine
CID 133096136
1,3-dimethoxy-5-phenylbenzene
CID 11469945
1-[(2,5-difluorophenyl)methyl]-4-phenylimidazole
CID 141132122
2-ethoxy-4-(4-fluorophenyl)-6-phenylpyridine
CID 154644656
5-(3-fluorophenyl)-2-methoxypyridine
CID 46313001
2-(3-fluorophenyl)-5,7-dimethoxyimidazo[1,2-a]pyrimidine
CID 115404113
2-(2,4-difluorophenyl)-6-(3-fluorophenyl)-4-methoxypyridine
CID 15022677

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine (CID 58404920) is 3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine is COc1cc(-c2ccccc2)cc2ncc(C#Cc3ccc(F)cc3F)n12.
What is the InChIKey of 3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine?
The InChIKey is OLGOEMQDTFCOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N2O/c1-27-22-12-17(15-5-3-2-4-6-15)11-21-25-14-19(26(21)22)10-8-16-7-9-18(23)13-20(16)24/h2-7,9,11-14H,1H3.
What are the key properties of 3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine?
3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine has a molecular weight of 360.36 g/mol, XLogP of 4.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenyl)ethynyl]-5-methoxy-7-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 58404920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).