5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid

C16H18N4O4S — CID 125005344

IUPAC5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
SMILESCS(=O)(=O)N1CCC[C@H](c2cncc(-c3cncc(C(=O)O)c3)n2)C1
InChIInChI=1S/C16H18N4O4S/c1-25(23,24)20-4-2-3-11(10-20)14-8-18-9-15(19-14)12-5-13(16(21)22)7-17-6-12/h5-9,11H,2-4,10H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyTYOXGUGJFRUBBC-NSHDSACASA-N
MW362.41 g/mol
LogP1.38
Rot. Bonds4

About 5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid

5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid (PubChem CID 125005344) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is 5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
PubChem CID125005344
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC Name5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
SMILESCS(=O)(=O)N1CCC[C@H](c2cncc(-c3cncc(C(=O)O)c3)n2)C1
InChIInChI=1S/C16H18N4O4S/c1-25(23,24)20-4-2-3-11(10-20)14-8-18-9-15(19-14)12-5-13(16(21)22)7-17-6-12/h5-9,11H,2-4,10H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyTYOXGUGJFRUBBC-NSHDSACASA-N
XLogP1.38
TPSA113.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]benzoic acid
CID 110112232
5-[6-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 124940879
3-[6-[1-(dimethylsulfamoyl)piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 110120298
2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124938808
2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125020173
5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
CID 125012790
5-[2-[(3S)-1-(dimethylsulfamoyl)piperidin-3-yl]-6-methylpyrimidin-4-yl]pyridine-3-carboxylic acid
CID 124992100
3-[6-[1-(2,2-dimethylpropanoyl)piperidin-3-yl]pyrazin-2-yl]benzoic acid
CID 110120354
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine
CID 95822186
2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110249421
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 110252905
4-[6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-yl]benzoic acid
CID 110112211

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid (CID 125005344) is 5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid is CS(=O)(=O)N1CCC[C@H](c2cncc(-c3cncc(C(=O)O)c3)n2)C1.
What is the InChIKey of 5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid?
The InChIKey is TYOXGUGJFRUBBC-NSHDSACASA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-25(23,24)20-4-2-3-11(10-20)14-8-18-9-15(19-14)12-5-13(16(21)22)7-17-6-12/h5-9,11H,2-4,10H2,1H3,(H,21,22)/t11-/m0/s1.
What are the key properties of 5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid?
5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid has a molecular weight of 362.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 125005344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).