5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine

C13H17N3O2S — CID 110100064

IUPAC5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)N1CCCC(c2cccc3nccn23)C1
InChIInChI=1S/C13H17N3O2S/c1-19(17,18)15-8-3-4-11(10-15)12-5-2-6-13-14-7-9-16(12)13/h2,5-7,9,11H,3-4,8,10H2,1H3
InChIKeyWRRWTRIALGBCSA-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.47
Rot. Bonds2

About 5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine

5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine (PubChem CID 110100064) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine
PubChem CID110100064
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine
SMILESCS(=O)(=O)N1CCCC(c2cccc3nccn23)C1
InChIInChI=1S/C13H17N3O2S/c1-19(17,18)15-8-3-4-11(10-15)12-5-2-6-13-14-7-9-16(12)13/h2,5-7,9,11H,3-4,8,10H2,1H3
InChIKeyWRRWTRIALGBCSA-UHFFFAOYSA-N
XLogP1.47
TPSA54.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-methylsulfonylpiperidin-4-yl)sulfinylimidazo[1,2-a]pyridine
CID 23362824
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838
2-(2-methylpyrazol-3-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124967187
N-cyclopentyl-6-(1-methylsulfonylpiperidin-3-yl)pyridin-2-amine
CID 110257261
2-(4-fluorophenyl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 95817962
3-[6-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-pyridinyl]imidazo[1,2-a]pyrimidine
CID 125021786
2-(3-fluorophenyl)-6-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110249421
5-benzyl-2-(1-methylsulfonylpiperidin-3-yl)pyridine
CID 110264018
2-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-3-ylpyrazine
CID 110257451
2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124988141
3-[(3R)-1-methylsulfonylpiperidin-3-yl]benzoic acid
CID 97208003

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine?
The IUPAC name of 5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine (CID 110100064) is 5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine?
The canonical SMILES for 5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine is CS(=O)(=O)N1CCCC(c2cccc3nccn23)C1.
What is the InChIKey of 5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine?
The InChIKey is WRRWTRIALGBCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-19(17,18)15-8-3-4-11(10-15)12-5-2-6-13-14-7-9-16(12)13/h2,5-7,9,11H,3-4,8,10H2,1H3.
What are the key properties of 5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine?
5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine has a molecular weight of 279.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylsulfonylpiperidin-3-yl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 110100064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).