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

C22H17FN2O3S — CID 66622999

IUPAC1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone
SMILESCC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccccc3S(C)(=O)=O)nc12
InChIInChI=1S/C22H17FN2O3S/c1-14(26)17-7-5-13-25-21(15-9-11-16(23)12-10-15)20(24-22(17)25)18-6-3-4-8-19(18)29(2,27)28/h3-13H,1-2H3
InChIKeyKZNXLTYNUDVZEO-UHFFFAOYSA-N
MW408.45 g/mol
LogP4.41
Rot. Bonds4

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

1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone (PubChem CID 66622999) has the molecular formula C22H17FN2O3S and a molecular weight of 408.45 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone
PubChem CID66622999
Molecular FormulaC22H17FN2O3S
Molecular Weight408.45 g/mol
Exact Mass408.09
IUPAC Name1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone
SMILESCC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccccc3S(C)(=O)=O)nc12
InChIInChI=1S/C22H17FN2O3S/c1-14(26)17-7-5-13-25-21(15-9-11-16(23)12-10-15)20(24-22(17)25)18-6-3-4-8-19(18)29(2,27)28/h3-13H,1-2H3
InChIKeyKZNXLTYNUDVZEO-UHFFFAOYSA-N
XLogP4.41
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone?
The IUPAC name of 1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone (CID 66622999) is 1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone?
The canonical SMILES for 1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone is CC(=O)c1cccn2c(-c3ccc(F)cc3)c(-c3ccccc3S(C)(=O)=O)nc12.
What is the InChIKey of 1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone?
The InChIKey is KZNXLTYNUDVZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O3S/c1-14(26)17-7-5-13-25-21(15-9-11-16(23)12-10-15)20(24-22(17)25)18-6-3-4-8-19(18)29(2,27)28/h3-13H,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone?
1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone has a molecular weight of 408.45 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-2-(2-methylsulfonylphenyl)imidazo[1,2-a]pyridin-8-yl]ethanone is sourced from PubChem (CID 66622999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).