2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine

C21H23FN4O2S — CID 95839090

IUPAC2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine
SMILESCCc1nccn1-c1cccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C21H23FN4O2S/c1-2-20-23-12-14-26(20)21-7-3-6-19(24-21)16-5-4-13-25(15-16)29(27,28)18-10-8-17(22)9-11-18/h3,6-12,14,16H,2,4-5,13,15H2,1H3/t16-/m0/s1
InChIKeyIZRLHTSCDHOHAL-INIZCTEOSA-N
MW414.51 g/mol
LogP3.54
Rot. Bonds5

About 2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine

2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine (PubChem CID 95839090) has the molecular formula C21H23FN4O2S and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine
PubChem CID95839090
Molecular FormulaC21H23FN4O2S
Molecular Weight414.51 g/mol
Exact Mass414.15
IUPAC Name2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine
SMILESCCc1nccn1-c1cccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1
InChIInChI=1S/C21H23FN4O2S/c1-2-20-23-12-14-26(20)21-7-3-6-19(24-21)16-5-4-13-25(15-16)29(27,28)18-10-8-17(22)9-11-18/h3,6-12,14,16H,2,4-5,13,15H2,1H3/t16-/m0/s1
InChIKeyIZRLHTSCDHOHAL-INIZCTEOSA-N
XLogP3.54
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95838774
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95839018
2-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 95815984
4-[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-2-methylpyrimidine
CID 125006109
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95838783
(3R)-3-(1-ethylimidazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine
CID 97154764
[(2S)-2-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 95838768
2-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 110268056
1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 110267944
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95815716
2-(2-ethylimidazol-1-yl)-6-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 95839014
(4-fluorophenyl)-[(3S)-3-[6-(2-methylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95838773

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine (CID 95839090) is 2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine is CCc1nccn1-c1cccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine?
The InChIKey is IZRLHTSCDHOHAL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H23FN4O2S/c1-2-20-23-12-14-26(20)21-7-3-6-19(24-21)16-5-4-13-25(15-16)29(27,28)18-10-8-17(22)9-11-18/h3,6-12,14,16H,2,4-5,13,15H2,1H3/t16-/m0/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine?
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine has a molecular weight of 414.51 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine is sourced from PubChem (CID 95839090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).