3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine

C16H18N6O2S — CID 110096967

IUPAC3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine
SMILESCS(=O)(=O)N1CCCC(c2cncc(-c3cnc4ncccn34)n2)C1
InChIInChI=1S/C16H18N6O2S/c1-25(23,24)21-6-2-4-12(11-21)13-8-17-9-14(20-13)15-10-19-16-18-5-3-7-22(15)16/h3,5,7-10,12H,2,4,6,11H2,1H3
InChIKeyWBSSCLIXYHJPSJ-UHFFFAOYSA-N
MW358.43 g/mol
LogP1.33
Rot. Bonds3

About 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine

3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine (PubChem CID 110096967) has the molecular formula C16H18N6O2S and a molecular weight of 358.43 g/mol. Its IUPAC name is 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine
PubChem CID110096967
Molecular FormulaC16H18N6O2S
Molecular Weight358.43 g/mol
Exact Mass358.12
IUPAC Name3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine
SMILESCS(=O)(=O)N1CCCC(c2cncc(-c3cnc4ncccn34)n2)C1
InChIInChI=1S/C16H18N6O2S/c1-25(23,24)21-6-2-4-12(11-21)13-8-17-9-14(20-13)15-10-19-16-18-5-3-7-22(15)16/h3,5,7-10,12H,2,4,6,11H2,1H3
InChIKeyWBSSCLIXYHJPSJ-UHFFFAOYSA-N
XLogP1.33
TPSA93.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine
CID 125021786
6-(1-methylsulfonylpiperidin-3-yl)-N-pyridin-2-ylpyrazin-2-amine
CID 110252903
2-chloro-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124938808
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyrazine
CID 124973464
5-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
CID 125012790
4-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]benzoic acid
CID 110112232
5-[6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]pyridine-3-carboxylic acid
CID 125005344
tert-butyl 2-(6-imidazo[1,2-a]pyrimidin-3-ylpyrazin-2-yl)pyrrolidine-1-carboxylate
CID 142765500
2-(2-methylpyrazol-3-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124967187
2-(1-ethylpyrazol-4-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125020173
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-6-phenoxypyrazine
CID 95822186
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]pyrimidin-2-amine
CID 110252905

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine (CID 110096967) is 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine is CS(=O)(=O)N1CCCC(c2cncc(-c3cnc4ncccn34)n2)C1.
What is the InChIKey of 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is WBSSCLIXYHJPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2S/c1-25(23,24)21-6-2-4-12(11-21)13-8-17-9-14(20-13)15-10-19-16-18-5-3-7-22(15)16/h3,5,7-10,12H,2,4,6,11H2,1H3.
What are the key properties of 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine?
3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 358.43 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-methylsulfonylpiperidin-3-yl)pyrazin-2-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 110096967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).