8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate

C17H15Br2N7O3 — CID 157185600

IUPAC8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cn2cc(C)nc2c(Br)n1.Cc1cn2cc(C(N)=O)nc(Br)c2n1
InChIInChI=1S/C9H8BrN3O2.C8H7BrN4O/c1-5-3-13-4-6(9(14)15-2)12-7(10)8(13)11-5;1-4-2-13-3-5(7(10)14)12-6(9)8(13)11-4/h3-4H,1-2H3;2-3H,1H3,(H2,10,14)
InChIKeyAPBVDIVWGVKVAJ-UHFFFAOYSA-N
MW525.16 g/mol
LogP2.49
Rot. Bonds2

About 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate

8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate (PubChem CID 157185600) has the molecular formula C17H15Br2N7O3 and a molecular weight of 525.16 g/mol. Its IUPAC name is 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate.

Molecular Properties

Compound Name8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate
PubChem CID157185600
Molecular FormulaC17H15Br2N7O3
Molecular Weight525.16 g/mol
Exact Mass522.96
IUPAC Name8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate
SMILESCOC(=O)c1cn2cc(C)nc2c(Br)n1.Cc1cn2cc(C(N)=O)nc(Br)c2n1
InChIInChI=1S/C9H8BrN3O2.C8H7BrN4O/c1-5-3-13-4-6(9(14)15-2)12-7(10)8(13)11-5;1-4-2-13-3-5(7(10)14)12-6(9)8(13)11-4/h3-4H,1-2H3;2-3H,1H3,(H2,10,14)
InChIKeyAPBVDIVWGVKVAJ-UHFFFAOYSA-N
XLogP2.49
TPSA129.77 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.16
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate?
The IUPAC name of 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate (CID 157185600) is 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate.
What is the SMILES notation for 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate?
The canonical SMILES for 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate is COC(=O)c1cn2cc(C)nc2c(Br)n1.Cc1cn2cc(C(N)=O)nc(Br)c2n1.
What is the InChIKey of 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate?
The InChIKey is APBVDIVWGVKVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3O2.C8H7BrN4O/c1-5-3-13-4-6(9(14)15-2)12-7(10)8(13)11-5;1-4-2-13-3-5(7(10)14)12-6(9)8(13)11-4/h3-4H,1-2H3;2-3H,1H3,(H2,10,14).
What are the key properties of 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate?
8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate has a molecular weight of 525.16 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxamide;methyl 8-bromo-2-methylimidazo[1,2-a]pyrazine-6-carboxylate is sourced from PubChem (CID 157185600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).