ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate

C15H20BrN3O3 — CID 88548203

IUPACethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate
SMILESCCOC(=O)c1c(OC(C)C)c2nc(Br)c(CC)nc2n1C
InChIInChI=1S/C15H20BrN3O3/c1-6-9-13(16)18-10-12(22-8(3)4)11(15(20)21-7-2)19(5)14(10)17-9/h8H,6-7H2,1-5H3
InChIKeyJEHPDMSQMYITEY-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.26
Rot. Bonds5

About ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate

ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate (PubChem CID 88548203) has the molecular formula C15H20BrN3O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate.

Molecular Properties

Compound Nameethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate
PubChem CID88548203
Molecular FormulaC15H20BrN3O3
Molecular Weight370.25 g/mol
Exact Mass369.07
IUPAC Nameethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate
SMILESCCOC(=O)c1c(OC(C)C)c2nc(Br)c(CC)nc2n1C
InChIInChI=1S/C15H20BrN3O3/c1-6-9-13(16)18-10-12(22-8(3)4)11(15(20)21-7-2)19(5)14(10)17-9/h8H,6-7H2,1-5H3
InChIKeyJEHPDMSQMYITEY-UHFFFAOYSA-N
XLogP3.26
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate with MolForge

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Related Compounds

ethyl 5-(benzhydrylideneamino)-6-ethyl-1-methyl-3-propan-2-yloxypyrrolo[2,3-b]pyridine-2-carboxylate
CID 88548103
ethyl 4,5-dibromo-1-methylimidazole-2-carboxylate
CID 130115155
ethyl 4-bromo-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxylate
CID 24728986
ethyl 4-(3,5-dibromobenzoyl)-1,3,5-trimethylpyrrole-2-carboxylate
CID 163793229
ethyl 5-bromo-6-propan-2-yloxypyridine-3-carboxylate
CID 133062104
ethyl 1-(2-bromo-4-propan-2-ylphenyl)-6-ethyl-2,3-dihydroimidazo[1,2-a]imidazole-5-carboxylate
CID 20780229
ethyl 5-(5-bromo-6-methyl-2-pyridinyl)-3-methylimidazole-4-carboxylate
CID 154637250
ethyl 3-(4-bromophenyl)-5-ethyltriazole-4-carboxylate
CID 118059748
ethyl 3-methoxy-1-methylindole-2-carboxylate
CID 12619890
ethyl 4-ethyl-2-(3-methylbutan-2-yl)-1,3-oxazole-5-carboxylate
CID 104842589
ethyl 3,5-dibromo-1-methylpyrazole-4-carboxylate
CID 24799526
ethyl 7-bromo-3-methylimidazo[4,5-b]pyridine-2-carboxylate
CID 131624320

Frequently Asked Questions

What is the IUPAC name of ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate?
The IUPAC name of ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate (CID 88548203) is ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate.
What is the SMILES notation for ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate?
The canonical SMILES for ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate is CCOC(=O)c1c(OC(C)C)c2nc(Br)c(CC)nc2n1C.
What is the InChIKey of ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate?
The InChIKey is JEHPDMSQMYITEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O3/c1-6-9-13(16)18-10-12(22-8(3)4)11(15(20)21-7-2)19(5)14(10)17-9/h8H,6-7H2,1-5H3.
What are the key properties of ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate?
ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate has a molecular weight of 370.25 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-bromo-3-ethyl-5-methyl-7-propan-2-yloxypyrrolo[2,3-b]pyrazine-6-carboxylate is sourced from PubChem (CID 88548203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).