5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile

C25H23FN2O3S — CID 67580976

IUPAC5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile
SMILESCS(=O)(=O)c1cc(OCC2CCCC2)c(-c2cncc(C#N)c2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C25H23FN2O3S/c1-32(29,30)22-11-23(19-6-8-21(26)9-7-19)25(20-10-18(13-27)14-28-15-20)24(12-22)31-16-17-4-2-3-5-17/h6-12,14-15,17H,2-5,16H2,1H3
InChIKeyWEOQHRUNKFYCCU-UHFFFAOYSA-N
MW450.54 g/mol
LogP5.40
Rot. Bonds6

About 5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile

5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile (PubChem CID 67580976) has the molecular formula C25H23FN2O3S and a molecular weight of 450.54 g/mol. Its IUPAC name is 5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile
PubChem CID67580976
Molecular FormulaC25H23FN2O3S
Molecular Weight450.54 g/mol
Exact Mass450.14
IUPAC Name5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile
SMILESCS(=O)(=O)c1cc(OCC2CCCC2)c(-c2cncc(C#N)c2)c(-c2ccc(F)cc2)c1
InChIInChI=1S/C25H23FN2O3S/c1-32(29,30)22-11-23(19-6-8-21(26)9-7-19)25(20-10-18(13-27)14-28-15-20)24(12-22)31-16-17-4-2-3-5-17/h6-12,14-15,17H,2-5,16H2,1H3
InChIKeyWEOQHRUNKFYCCU-UHFFFAOYSA-N
XLogP5.40
TPSA80.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.54
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(cyclohexylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile
CID 67579735
N-[5-cyano-6-(cyclopentylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23218040
5-[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022586
N-[5-cyano-6-(cyclopropylmethoxy)-2-(4-fluorophenyl)-3-pyridinyl]benzenesulfonamide
CID 23217928
2-(cyclopentylmethoxy)-4-(4-methylsulfonylphenyl)-6-(trifluoromethyl)pyrimidine
CID 10453591
3-fluoro-4-[(1-methylsulfonylpiperidin-3-yl)methoxy]benzonitrile
CID 103793518
N-[2-(cyclopropylmethoxy)-5-fluorophenyl]-1H-pyrazole-4-sulfonamide
CID 126793474
5-[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-1-methylpyridin-2-one
CID 118022228
4-[[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]methoxy]-3-methoxybenzonitrile
CID 155503125
3-(cyclopentylmethoxy)-4-fluoropyridine
CID 142361626
4-[4-(cyclopentylmethoxy)phenyl]benzonitrile
CID 10039177
4-[[4-(4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carbonitrile
CID 86638736

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile (CID 67580976) is 5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile is CS(=O)(=O)c1cc(OCC2CCCC2)c(-c2cncc(C#N)c2)c(-c2ccc(F)cc2)c1.
What is the InChIKey of 5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile?
The InChIKey is WEOQHRUNKFYCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O3S/c1-32(29,30)22-11-23(19-6-8-21(26)9-7-19)25(20-10-18(13-27)14-28-15-20)24(12-22)31-16-17-4-2-3-5-17/h6-12,14-15,17H,2-5,16H2,1H3.
What are the key properties of 5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile?
5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile has a molecular weight of 450.54 g/mol, XLogP of 5.40, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopentylmethoxy)-6-(4-fluorophenyl)-4-methylsulfonylphenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 67580976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).