3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

C24H17FN2O2S2 — CID 164623903

IUPAC3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccc(F)cc5)s4)cnc3c2)cc1
InChIInChI=1S/C24H17FN2O2S2/c1-31(28,29)20-8-4-16(5-9-20)18-12-13-27-21(15-26-24(27)14-18)23-11-10-22(30-23)17-2-6-19(25)7-3-17/h2-15H,1H3
InChIKeyUHUJWTIIQOQKPX-UHFFFAOYSA-N
MW448.54 g/mol
LogP5.94
Rot. Bonds4

About 3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine

3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (PubChem CID 164623903) has the molecular formula C24H17FN2O2S2 and a molecular weight of 448.54 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
PubChem CID164623903
Molecular FormulaC24H17FN2O2S2
Molecular Weight448.54 g/mol
Exact Mass448.07
IUPAC Name3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccc(F)cc5)s4)cnc3c2)cc1
InChIInChI=1S/C24H17FN2O2S2/c1-31(28,29)20-8-4-16(5-9-20)18-12-13-27-21(15-26-24(27)14-18)23-11-10-22(30-23)17-2-6-19(25)7-3-17/h2-15H,1H3
InChIKeyUHUJWTIIQOQKPX-UHFFFAOYSA-N
XLogP5.94
TPSA51.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.54
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine (CID 164623903) is 3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is CS(=O)(=O)c1ccc(-c2ccn3c(-c4ccc(-c5ccc(F)cc5)s4)cnc3c2)cc1.
What is the InChIKey of 3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
The InChIKey is UHUJWTIIQOQKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN2O2S2/c1-31(28,29)20-8-4-16(5-9-20)18-12-13-27-21(15-26-24(27)14-18)23-11-10-22(30-23)17-2-6-19(25)7-3-17/h2-15H,1H3.
What are the key properties of 3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine?
3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine has a molecular weight of 448.54 g/mol, XLogP of 5.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)thiophen-2-yl]-7-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 164623903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).