3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine

C21H14F4N2O2S — CID 139788743

IUPAC3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cccn3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H14F4N2O2S/c1-30(28,29)16-10-6-13(7-11-16)18-19(14-4-8-15(22)9-5-14)27-12-2-3-17(20(27)26-18)21(23,24)25/h2-12H,1H3
InChIKeyNXEZCZIUCZFUOY-UHFFFAOYSA-N
MW434.41 g/mol
LogP5.23
Rot. Bonds3

About 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine

3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine (PubChem CID 139788743) has the molecular formula C21H14F4N2O2S and a molecular weight of 434.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
PubChem CID139788743
Molecular FormulaC21H14F4N2O2S
Molecular Weight434.41 g/mol
Exact Mass434.07
IUPAC Name3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cccn3c2-c2ccc(F)cc2)cc1
InChIInChI=1S/C21H14F4N2O2S/c1-30(28,29)16-10-6-13(7-11-16)18-19(14-4-8-15(22)9-5-14)27-12-2-3-17(20(27)26-18)21(23,24)25/h2-12H,1H3
InChIKeyNXEZCZIUCZFUOY-UHFFFAOYSA-N
XLogP5.23
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.41
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine with MolForge

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Related Compounds

5-(4-fluorophenyl)-1-methyl-4-(4-methylsulfonylphenyl)-2-(trifluoromethyl)imidazole
CID 18463709
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-1-phenyl-4-(trifluoromethyl)pyrrole
CID 59125671
2-(4-methylsulfonylphenyl)-3-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 122222300
3-methyl-2-[4-(4-methylsulfonylphenyl)phenyl]-5-(trifluoromethyl)quinoxaline
CID 46202578
4-(4-fluorophenyl)-5-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-1,3-thiazole
CID 10157862
2-[(4-fluorophenyl)methoxy]-4-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrimidine
CID 69159158
N-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 167713581
5-(4-fluorophenyl)-4-(4-methylsulfonylphenyl)-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 142636183
4-[5-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-3-propylimidazol-4-yl]pyridine
CID 18771516
N-methyl-2-phenyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-3-amine
CID 144629096
2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine
CID 154072131
3-(4-methylsulfonylphenyl)-2-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 70024217

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine (CID 139788743) is 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2nc3c(C(F)(F)F)cccn3c2-c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
The InChIKey is NXEZCZIUCZFUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N2O2S/c1-30(28,29)16-10-6-13(7-11-16)18-19(14-4-8-15(22)9-5-14)27-12-2-3-17(20(27)26-18)21(23,24)25/h2-12H,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine?
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine has a molecular weight of 434.41 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 139788743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).