6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid

C12H13BrN4O2 — CID 162374490

IUPAC6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(Br)nc(N3CCCCC3)c2n1
InChIInChI=1S/C12H13BrN4O2/c13-9-7-17-6-8(12(18)19)14-10(17)11(15-9)16-4-2-1-3-5-16/h6-7H,1-5H2,(H,18,19)
InChIKeyFCNJBYFGEMTZER-UHFFFAOYSA-N
MW325.17 g/mol
LogP2.18
Rot. Bonds2

About 6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid

6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid (PubChem CID 162374490) has the molecular formula C12H13BrN4O2 and a molecular weight of 325.17 g/mol. Its IUPAC name is 6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid
PubChem CID162374490
Molecular FormulaC12H13BrN4O2
Molecular Weight325.17 g/mol
Exact Mass324.02
IUPAC Name6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cn2cc(Br)nc(N3CCCCC3)c2n1
InChIInChI=1S/C12H13BrN4O2/c13-9-7-17-6-8(12(18)19)14-10(17)11(15-9)16-4-2-1-3-5-16/h6-7H,1-5H2,(H,18,19)
InChIKeyFCNJBYFGEMTZER-UHFFFAOYSA-N
XLogP2.18
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.17
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxamide
CID 162374424
8-(3-methylpiperidin-1-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 166334168
N-[(6-bromo-8-morpholin-4-ylimidazo[1,2-a]pyrazin-2-yl)methyl]acetamide
CID 175883938
6-bromo-2-pyrrolidin-1-ylpyrimidine-4-carboxylic acid
CID 83852915
4-[6-bromo-2-(chloromethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 71742157
6-hydroxy-8-pyrrolidin-1-ylimidazo[1,2-a]pyrazine-2-carbaldehyde
CID 84695513
2-piperidin-1-ylpyrimidine-4,6-dicarboxylic acid
CID 66490570
5-(azepan-1-yl)-6-methylpyrazine-2-carboxylic acid
CID 83841868
1-methyl-2-pyrrolidin-1-ylimidazole-4-carboxylic acid
CID 117189298
6-bromo-8-(4-methyl-1,4-diazepan-1-yl)imidazo[1,2-a]pyrazine
CID 79956302
8-(5-azaspiro[2.4]heptan-5-yl)imidazo[1,2-a]pyrazine-2-carboxylic acid
CID 166378478
6-bromo-8-(2-methoxyethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
CID 156501873

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid?
The IUPAC name of 6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid (CID 162374490) is 6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid is O=C(O)c1cn2cc(Br)nc(N3CCCCC3)c2n1.
What is the InChIKey of 6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid?
The InChIKey is FCNJBYFGEMTZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O2/c13-9-7-17-6-8(12(18)19)14-10(17)11(15-9)16-4-2-1-3-5-16/h6-7H,1-5H2,(H,18,19).
What are the key properties of 6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid?
6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid has a molecular weight of 325.17 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-piperidin-1-ylimidazo[1,2-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 162374490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).