3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one

C28H21FN2O4S — CID 158469086

IUPAC3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)c2cccc(Oc3ccc(F)cc3)c2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C28H21FN2O4S/c29-22-8-10-23(11-9-22)35-24-2-1-3-26(18-24)36(33,34)25-12-4-20(5-13-25)6-14-27(32)21-7-15-28-30-16-17-31(28)19-21/h1-5,7-13,15-19H,6,14H2
InChIKeyHGCWQZHTBWYYTA-UHFFFAOYSA-N
MW500.55 g/mol
LogP5.91
Rot. Bonds8

About 3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one

3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one (PubChem CID 158469086) has the molecular formula C28H21FN2O4S and a molecular weight of 500.55 g/mol. Its IUPAC name is 3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
PubChem CID158469086
Molecular FormulaC28H21FN2O4S
Molecular Weight500.55 g/mol
Exact Mass500.12
IUPAC Name3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)c2cccc(Oc3ccc(F)cc3)c2)cc1)c1ccc2nccn2c1
InChIInChI=1S/C28H21FN2O4S/c29-22-8-10-23(11-9-22)35-24-2-1-3-26(18-24)36(33,34)25-12-4-20(5-13-25)6-14-27(32)21-7-15-28-30-16-17-31(28)19-21/h1-5,7-13,15-19H,6,14H2
InChIKeyHGCWQZHTBWYYTA-UHFFFAOYSA-N
XLogP5.91
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The IUPAC name of 3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one (CID 158469086) is 3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one.
What is the SMILES notation for 3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The canonical SMILES for 3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one is O=C(CCc1ccc(S(=O)(=O)c2cccc(Oc3ccc(F)cc3)c2)cc1)c1ccc2nccn2c1.
What is the InChIKey of 3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The InChIKey is HGCWQZHTBWYYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21FN2O4S/c29-22-8-10-23(11-9-22)35-24-2-1-3-26(18-24)36(33,34)25-12-4-20(5-13-25)6-14-27(32)21-7-15-28-30-16-17-31(28)19-21/h1-5,7-13,15-19H,6,14H2.
What are the key properties of 3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one has a molecular weight of 500.55 g/mol, XLogP of 5.91, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(4-fluorophenoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one is sourced from PubChem (CID 158469086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).