3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid

C10H10BrN3O2 — CID 117272684

IUPAC3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid
SMILESCC(C)c1nc2cnc(C(=O)O)cn2c1Br
InChIInChI=1S/C10H10BrN3O2/c1-5(2)8-9(11)14-4-6(10(15)16)12-3-7(14)13-8/h3-5H,1-2H3,(H,15,16)
InChIKeyMUFFCSGOAREQJM-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.31
Rot. Bonds2

About 3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid

3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid (PubChem CID 117272684) has the molecular formula C10H10BrN3O2 and a molecular weight of 284.11 g/mol. Its IUPAC name is 3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid
PubChem CID117272684
Molecular FormulaC10H10BrN3O2
Molecular Weight284.11 g/mol
Exact Mass283.00
IUPAC Name3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid
SMILESCC(C)c1nc2cnc(C(=O)O)cn2c1Br
InChIInChI=1S/C10H10BrN3O2/c1-5(2)8-9(11)14-4-6(10(15)16)12-3-7(14)13-8/h3-5H,1-2H3,(H,15,16)
InChIKeyMUFFCSGOAREQJM-UHFFFAOYSA-N
XLogP2.31
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-di(propan-2-yl)pyrazine-2-carboxylic acid
CID 22493535
6-bromopyrrolo[1,2-a]pyrazine-3-carboxylic acid
CID 22565748
6-amino-5-propan-2-ylpyrazine-2-carboxylic acid
CID 130118794
3-propan-2-ylimidazo[2,1-b][1,3]thiazole-6-carboxylic acid
CID 4014477
2-(3-bromoimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 83693870
6-bromo-3-propan-2-ylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 155894131
4-methyl-5-oxopyrazine-2-carboxylic acid;hydrochloride
CID 126796383
2-propan-2-ylimidazo[1,2-a]pyridine-5-carboxylic acid
CID 80503767
3-bromo-2-propan-2-ylimidazo[1,2-a]pyridin-5-amine
CID 83693304
6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 68615554
6-bromo-7-methylimidazo[1,2-a]pyrimidine-3-carboxylic acid
CID 156517241
1-(3-bromoimidazo[1,2-a]pyrazin-6-yl)-2-hydroxyethanone
CID 118441490

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid?
The IUPAC name of 3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid (CID 117272684) is 3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid.
What is the SMILES notation for 3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid?
The canonical SMILES for 3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid is CC(C)c1nc2cnc(C(=O)O)cn2c1Br.
What is the InChIKey of 3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid?
The InChIKey is MUFFCSGOAREQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O2/c1-5(2)8-9(11)14-4-6(10(15)16)12-3-7(14)13-8/h3-5H,1-2H3,(H,15,16).
What are the key properties of 3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid?
3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid has a molecular weight of 284.11 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-propan-2-ylimidazo[1,2-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 117272684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).