2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine

C20H23N5O3S — CID 110255183

IUPAC2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine
SMILESCOc1ccccc1-c1nccnc1C1CCCN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C20H23N5O3S/c1-24-13-18(23-14-24)29(26,27)25-11-5-6-15(12-25)19-20(22-10-9-21-19)16-7-3-4-8-17(16)28-2/h3-4,7-10,13-15H,5-6,11-12H2,1-2H3
InChIKeyUNASPXNBXJBAIB-UHFFFAOYSA-N
MW413.50 g/mol
LogP2.45
Rot. Bonds5

About 2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine

2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine (PubChem CID 110255183) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine
PubChem CID110255183
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine
SMILESCOc1ccccc1-c1nccnc1C1CCCN(S(=O)(=O)c2cn(C)cn2)C1
InChIInChI=1S/C20H23N5O3S/c1-24-13-18(23-14-24)29(26,27)25-11-5-6-15(12-25)19-20(22-10-9-21-19)16-7-3-4-8-17(16)28-2/h3-4,7-10,13-15H,5-6,11-12H2,1-2H3
InChIKeyUNASPXNBXJBAIB-UHFFFAOYSA-N
XLogP2.45
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-fluorophenyl)-6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810657
5-(2-fluorophenyl)-N,N-dimethyl-4-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidin-2-amine
CID 92617570
N-benzyl-2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine-3-carboxamide
CID 110260313
2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]piperidin-3-yl]-3-(2-methoxyphenyl)pyrazine
CID 95819239
5-methyl-4-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrimidine
CID 95824666
2-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1,3-thiazole
CID 125021411
6-[(3R)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-1H-pyrimidin-2-one
CID 124983935
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249966
1-[(3S)-3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95818890
1-[3-[3-(2-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-4-phenylbutan-1-one
CID 110255191
2-(3-chlorophenyl)-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridine
CID 95810668
6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]-N-pyridin-2-ylpyridine-2-carboxamide
CID 110254342

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine (CID 110255183) is 2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine is COc1ccccc1-c1nccnc1C1CCCN(S(=O)(=O)c2cn(C)cn2)C1.
What is the InChIKey of 2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine?
The InChIKey is UNASPXNBXJBAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-24-13-18(23-14-24)29(26,27)25-11-5-6-15(12-25)19-20(22-10-9-21-19)16-7-3-4-8-17(16)28-2/h3-4,7-10,13-15H,5-6,11-12H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine?
2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine has a molecular weight of 413.50 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-3-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 110255183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).