2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine

C24H26FN3O3S — CID 59331317

IUPAC2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine
SMILESO=S(=O)(c1ccc(C(CC2CCOCC2)c2nc(-c3ccccn3)c(F)[nH]2)cc1)C1CC1
InChIInChI=1S/C24H26FN3O3S/c25-23-22(21-3-1-2-12-26-21)27-24(28-23)20(15-16-10-13-31-14-11-16)17-4-6-18(7-5-17)32(29,30)19-8-9-19/h1-7,12,16,19-20H,8-11,13-15H2,(H,27,28)
InChIKeyROIAOMYNGPBJSF-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.50
Rot. Bonds7

About 2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine

2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine (PubChem CID 59331317) has the molecular formula C24H26FN3O3S and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine
PubChem CID59331317
Molecular FormulaC24H26FN3O3S
Molecular Weight455.56 g/mol
Exact Mass455.17
IUPAC Name2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine
SMILESO=S(=O)(c1ccc(C(CC2CCOCC2)c2nc(-c3ccccn3)c(F)[nH]2)cc1)C1CC1
InChIInChI=1S/C24H26FN3O3S/c25-23-22(21-3-1-2-12-26-21)27-24(28-23)20(15-16-10-13-31-14-11-16)17-4-6-18(7-5-17)32(29,30)19-8-9-19/h1-7,12,16,19-20H,8-11,13-15H2,(H,27,28)
InChIKeyROIAOMYNGPBJSF-UHFFFAOYSA-N
XLogP4.50
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-[1-(4-methylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine
CID 59331433
5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrole-2-carboxylic acid
CID 59331501
5-(4-cyclopropylsulfonylphenyl)-6-(oxan-4-yl)-1-pyridin-2-ylhexane-1,4-dione
CID 59331378
6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]pyridine-3-carboxylic acid
CID 59331614
2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)propanoic acid
CID 21093929
tert-butyl-[1-[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-3-methyl-1H-pyrrol-2-yl]-3-pyridinyl]ethoxy]-dimethylsilane
CID 59331595
2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide
CID 21093931
1-[4-[[6-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]-3-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 25107074
5-[2-[2-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]-1,3-thiazol-5-yl]ethyl]-3H-1,3,4-oxadiazol-2-one
CID 59331399
2-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]-5-[(3,3-difluoropyrrolidin-1-yl)methyl]-1,3-thiazole
CID 59331223
2-[2-[5-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-1H-pyrrol-2-yl]-1,3-thiazol-5-yl]-3-methoxybutan-2-ol
CID 70916780
(2R)-2-(4-cyclobutylsulfonylphenyl)-3-(oxan-4-yl)-N-(1,2-oxazol-3-yl)propanamide
CID 58860827

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine?
The IUPAC name of 2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine (CID 59331317) is 2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine is O=S(=O)(c1ccc(C(CC2CCOCC2)c2nc(-c3ccccn3)c(F)[nH]2)cc1)C1CC1.
What is the InChIKey of 2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine?
The InChIKey is ROIAOMYNGPBJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3S/c25-23-22(21-3-1-2-12-26-21)27-24(28-23)20(15-16-10-13-31-14-11-16)17-4-6-18(7-5-17)32(29,30)19-8-9-19/h1-7,12,16,19-20H,8-11,13-15H2,(H,27,28).
What are the key properties of 2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine?
2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine has a molecular weight of 455.56 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-cyclopropylsulfonylphenyl)-2-(oxan-4-yl)ethyl]-5-fluoro-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 59331317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).