3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine

C13H11N3O2S — CID 157020249

IUPAC3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cnc3cnccn23)cc1
InChIInChI=1S/C13H11N3O2S/c1-19(17,18)11-4-2-10(3-5-11)12-8-15-13-9-14-6-7-16(12)13/h2-9H,1H3
InChIKeyOHOOTOUOOWWWEJ-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.80
Rot. Bonds2

About 3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine

3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine (PubChem CID 157020249) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine
PubChem CID157020249
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine
SMILESCS(=O)(=O)c1ccc(-c2cnc3cnccn23)cc1
InChIInChI=1S/C13H11N3O2S/c1-19(17,18)11-4-2-10(3-5-11)12-8-15-13-9-14-6-7-16(12)13/h2-9H,1H3
InChIKeyOHOOTOUOOWWWEJ-UHFFFAOYSA-N
XLogP1.80
TPSA64.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 157018746
3-[4-(1-methoxyethyl)phenyl]imidazo[1,2-a]pyrazine
CID 163318481
(4-imidazo[1,2-a]pyrazin-3-ylphenyl)boronic acid
CID 141396507
(4-imidazo[1,2-a]pyrazin-3-ylphenyl)methanol
CID 157019835
4-imidazo[1,2-a]pyrazin-3-yl-2-methylphenol
CID 162633964
2-ethyl-4-imidazo[1,2-a]pyrazin-3-ylphenol
CID 162635173
4-methyl-3-[2-(4-methylsulfonylphenyl)pyrrol-1-yl]pyridine
CID 21221443
4-methyl-3-[2-methyl-5-(4-methylsulfonylphenyl)pyrrol-1-yl]pyridine
CID 21221525
4-(4-methylsulfonylphenyl)pyridine
CID 119085244
3-(2,3-dihydro-1-benzofuran-5-yl)imidazo[1,2-a]pyrazine
CID 141418101
N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(1H-pyrazol-5-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 90157482
6-(3-cyclopropylsulfonylphenyl)-3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyridine
CID 122193257

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine (CID 157020249) is 3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine is CS(=O)(=O)c1ccc(-c2cnc3cnccn23)cc1.
What is the InChIKey of 3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is OHOOTOUOOWWWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-19(17,18)11-4-2-10(3-5-11)12-8-15-13-9-14-6-7-16(12)13/h2-9H,1H3.
What are the key properties of 3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine?
3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 273.32 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonylphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 157020249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).