ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate

C12H11Br2N3O2 — CID 154727950

IUPACethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc2c(C3CC3)nc(Br)cn2c1Br
InChIInChI=1S/C12H11Br2N3O2/c1-2-19-12(18)9-10(14)17-5-7(13)15-8(6-3-4-6)11(17)16-9/h5-6H,2-4H2,1H3
InChIKeyMGAIGSWWIIQCNH-UHFFFAOYSA-N
MW389.05 g/mol
LogP3.31
Rot. Bonds3

About ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate

ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate (PubChem CID 154727950) has the molecular formula C12H11Br2N3O2 and a molecular weight of 389.05 g/mol. Its IUPAC name is ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate
PubChem CID154727950
Molecular FormulaC12H11Br2N3O2
Molecular Weight389.05 g/mol
Exact Mass386.92
IUPAC Nameethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1nc2c(C3CC3)nc(Br)cn2c1Br
InChIInChI=1S/C12H11Br2N3O2/c1-2-19-12(18)9-10(14)17-5-7(13)15-8(6-3-4-6)11(17)16-9/h5-6H,2-4H2,1H3
InChIKeyMGAIGSWWIIQCNH-UHFFFAOYSA-N
XLogP3.31
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.05
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-bromo-3-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazine-2-carboxylate
CID 162374440
ethyl 3-bromo-6-chloroimidazo[1,2-a]pyridine-2-carboxylate
CID 5260614
ethyl 2-cyclopropyl-5-ethyl-6-methylpyridine-3-carboxylate
CID 116533608
ethyl 3-bromoimidazo[1,2-c]pyrimidine-2-carboxylate
CID 90411244
ethyl 3-cyclohexyl-1-methylpyrazole-4-carboxylate
CID 146167576
ethyl 1-cyclopropyl-7,8-difluoro-9-formyl-4-oxopyrido[1,2-a]pyrazine-3-carboxylate
CID 123703402
ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
CID 67953969
ethyl 3-amino-8-bromoimidazo[1,2-a]pyridine-2-carboxylate
CID 82529178
ethyl 4-cyclopropyl-2-methylpyrimidine-5-carboxylate
CID 22831806
ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine
CID 165132115
ethyl 3,6-dibromopyridine-2-carboxylate
CID 46311333
ethyl 8-bromo-3-iodoimidazo[1,2-a]pyridine-2-carboxylate
CID 171530837

Frequently Asked Questions

What is the IUPAC name of ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate (CID 154727950) is ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate is CCOC(=O)c1nc2c(C3CC3)nc(Br)cn2c1Br.
What is the InChIKey of ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate?
The InChIKey is MGAIGSWWIIQCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2N3O2/c1-2-19-12(18)9-10(14)17-5-7(13)15-8(6-3-4-6)11(17)16-9/h5-6H,2-4H2,1H3.
What are the key properties of ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate?
ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate has a molecular weight of 389.05 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,6-dibromo-8-cyclopropylimidazo[1,2-a]pyrazine-2-carboxylate is sourced from PubChem (CID 154727950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).