5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine

C7H7BrN4O2S — CID 155796520

IUPAC5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine
SMILESCn1c(S(C)(=O)=O)nc2ncc(Br)nc21
InChIInChI=1S/C7H7BrN4O2S/c1-12-6-5(9-3-4(8)10-6)11-7(12)15(2,13)14/h3H,1-2H3
InChIKeyALFRMVWNHHDWIL-UHFFFAOYSA-N
MW291.13 g/mol
LogP0.53
Rot. Bonds1

About 5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine

5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine (PubChem CID 155796520) has the molecular formula C7H7BrN4O2S and a molecular weight of 291.13 g/mol. Its IUPAC name is 5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine.

Molecular Properties

Compound Name5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine
PubChem CID155796520
Molecular FormulaC7H7BrN4O2S
Molecular Weight291.13 g/mol
Exact Mass289.95
IUPAC Name5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine
SMILESCn1c(S(C)(=O)=O)nc2ncc(Br)nc21
InChIInChI=1S/C7H7BrN4O2S/c1-12-6-5(9-3-4(8)10-6)11-7(12)15(2,13)14/h3H,1-2H3
InChIKeyALFRMVWNHHDWIL-UHFFFAOYSA-N
XLogP0.53
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-3-methyl-2-propan-2-ylimidazo[4,5-b]pyrazine
CID 169232947
1,3,7-trimethyl-8-methylsulfonylpurine-2,6-dione
CID 940119
2-bromo-6-methylsulfonylpyrazine
CID 162523357
6-bromo-2-methylsulfonyl-1H-imidazo[4,5-b]pyridine
CID 71758749
6-bromo-2-[(5-methylsulfonyl-2-pyridinyl)methylamino]-4-propan-2-ylpyrazino[2,3-b]pyrazin-3-one
CID 154986740
3-methyl-4-methylsulfonyl-12-thia-3,5,8-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,10-pentaene
CID 146253381
5-bromo-1-methyl-[1,2]oxazolo[3,4-b]pyrazin-3-one
CID 89038899
2-(1-methyl-2-methylsulfonyl-6-oxopyrimidin-5-yl)acetonitrile
CID 84791337
5-bromo-1-methylsulfonylindazole
CID 167427897
3-bromo-1-methyl-6-methylsulfonylpyrazolo[3,4-d]pyrimidine;3-bromo-1-methylpyrazolo[3,4-d]pyrimidin-6-amine
CID 157473843
2,4-dibromo-6-methylsulfonylpyrimidine
CID 154156643
3,6-dibromopyrazin-2-amine;ethane
CID 143578228

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine?
The IUPAC name of 5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine (CID 155796520) is 5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine.
What is the SMILES notation for 5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine?
The canonical SMILES for 5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine is Cn1c(S(C)(=O)=O)nc2ncc(Br)nc21.
What is the InChIKey of 5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine?
The InChIKey is ALFRMVWNHHDWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN4O2S/c1-12-6-5(9-3-4(8)10-6)11-7(12)15(2,13)14/h3H,1-2H3.
What are the key properties of 5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine?
5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine has a molecular weight of 291.13 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-methyl-2-methylsulfonylimidazo[4,5-b]pyrazine is sourced from PubChem (CID 155796520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).