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

C23H19FN2O4S — CID 149172576

IUPAC3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
SMILESCOc1cc(F)ccc1S(=O)(=O)c1ccc(CCC(=O)c2ccc3nccn3c2)cc1
InChIInChI=1S/C23H19FN2O4S/c1-30-21-14-18(24)6-10-22(21)31(28,29)19-7-2-16(3-8-19)4-9-20(27)17-5-11-23-25-12-13-26(23)15-17/h2-3,5-8,10-15H,4,9H2,1H3
InChIKeyWZIRVMMZZZYQHV-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.13
Rot. Bonds7

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

3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one (PubChem CID 149172576) has the molecular formula C23H19FN2O4S and a molecular weight of 438.48 g/mol. Its IUPAC name is 3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
PubChem CID149172576
Molecular FormulaC23H19FN2O4S
Molecular Weight438.48 g/mol
Exact Mass438.10
IUPAC Name3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
SMILESCOc1cc(F)ccc1S(=O)(=O)c1ccc(CCC(=O)c2ccc3nccn3c2)cc1
InChIInChI=1S/C23H19FN2O4S/c1-30-21-14-18(24)6-10-22(21)31(28,29)19-7-2-16(3-8-19)4-9-20(27)17-5-11-23-25-12-13-26(23)15-17/h2-3,5-8,10-15H,4,9H2,1H3
InChIKeyWZIRVMMZZZYQHV-UHFFFAOYSA-N
XLogP4.13
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The IUPAC name of 3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one (CID 149172576) is 3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one is COc1cc(F)ccc1S(=O)(=O)c1ccc(CCC(=O)c2ccc3nccn3c2)cc1.
What is the InChIKey of 3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
The InChIKey is WZIRVMMZZZYQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O4S/c1-30-21-14-18(24)6-10-22(21)31(28,29)19-7-2-16(3-8-19)4-9-20(27)17-5-11-23-25-12-13-26(23)15-17/h2-3,5-8,10-15H,4,9H2,1H3.
What are the key properties of 3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one?
3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one has a molecular weight of 438.48 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-fluoro-2-methoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one is sourced from PubChem (CID 149172576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).