2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine

C20H21FN4O2S — CID 95810657

IUPAC2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
SMILESCn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)c1
InChIInChI=1S/C20H21FN4O2S/c1-24-13-20(22-14-24)28(26,27)25-11-5-6-15(12-25)18-9-4-10-19(23-18)16-7-2-3-8-17(16)21/h2-4,7-10,13-15H,5-6,11-12H2,1H3/t15-/m1/s1
InChIKeyGQNALGYNIXPLBB-OAHLLOKOSA-N
MW400.48 g/mol
LogP3.19
Rot. Bonds4

About 2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine

2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine (PubChem CID 95810657) has the molecular formula C20H21FN4O2S and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
PubChem CID95810657
Molecular FormulaC20H21FN4O2S
Molecular Weight400.48 g/mol
Exact Mass400.14
IUPAC Name2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
SMILESCn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)c1
InChIInChI=1S/C20H21FN4O2S/c1-24-13-20(22-14-24)28(26,27)25-11-5-6-15(12-25)18-9-4-10-19(23-18)16-7-2-3-8-17(16)21/h2-4,7-10,13-15H,5-6,11-12H2,1H3/t15-/m1/s1
InChIKeyGQNALGYNIXPLBB-OAHLLOKOSA-N
XLogP3.19
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249966
5-(2-fluorophenyl)-N,N-dimethyl-4-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 92617570
2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810668
3-[6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]benzamide
CID 110249975
[6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-2-pyridinyl]-morpholin-4-ylmethanone
CID 95817675
6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254342
2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine
CID 110255183
(3R)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708374
(3S)-3-[2-(2,6-difluorophenyl)ethyl]-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 95708373
N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958662
6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124983935
N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine
CID 110088790

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
The IUPAC name of 2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine (CID 95810657) is 2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine.
What is the SMILES notation for 2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
The canonical SMILES for 2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine is Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3cccc(-c4ccccc4F)n3)C2)c1.
What is the InChIKey of 2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
The InChIKey is GQNALGYNIXPLBB-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21FN4O2S/c1-24-13-20(22-14-24)28(26,27)25-11-5-6-15(12-25)18-9-4-10-19(23-18)16-7-2-3-8-17(16)21/h2-4,7-10,13-15H,5-6,11-12H2,1H3/t15-/m1/s1.
What are the key properties of 2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine?
2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine has a molecular weight of 400.48 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine is sourced from PubChem (CID 95810657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).