1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone

C22H17FN2OS — CID 10981684

IUPAC1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone
SMILESCSc1ccc(-c2nc3c(C(C)=O)cccn3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H17FN2OS/c1-14(26)19-4-3-13-25-21(16-5-9-17(23)10-6-16)20(24-22(19)25)15-7-11-18(27-2)12-8-15/h3-13H,1-2H3
InChIKeyDYASOGUGQPBPLM-UHFFFAOYSA-N
MW376.46 g/mol
LogP5.73
Rot. Bonds4

About 1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone

1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone (PubChem CID 10981684) has the molecular formula C22H17FN2OS and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone
PubChem CID10981684
Molecular FormulaC22H17FN2OS
Molecular Weight376.46 g/mol
Exact Mass376.10
IUPAC Name1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone
SMILESCSc1ccc(-c2nc3c(C(C)=O)cccn3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C22H17FN2OS/c1-14(26)19-4-3-13-25-21(16-5-9-17(23)10-6-16)20(24-22(19)25)15-7-11-18(27-2)12-8-15/h3-13H,1-2H3
InChIKeyDYASOGUGQPBPLM-UHFFFAOYSA-N
XLogP5.73
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.46
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone (CID 10981684) is 1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone is CSc1ccc(-c2nc3c(C(C)=O)cccn3c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone?
The InChIKey is DYASOGUGQPBPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2OS/c1-14(26)19-4-3-13-25-21(16-5-9-17(23)10-6-16)20(24-22(19)25)15-7-11-18(27-2)12-8-15/h3-13H,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone?
1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone has a molecular weight of 376.46 g/mol, XLogP of 5.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone is sourced from PubChem (CID 10981684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).