ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate

C34H33BrF2N4O6 — CID 158369852

About ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate

ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate (PubChem CID 158369852) has the molecular formula C34H33BrF2N4O6 and a molecular weight of 711.56 g/mol. Its IUPAC name is ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate
• PubChem CID: 158369852
• Molecular Formula: C34H33BrF2N4O6
• Molecular Weight: 711.56 g/mol
• Exact Mass: 710.16
• IUPAC Name: ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate
• SMILES: CCOC(=O)CC1CNC(=O)c2cc(-c3cccc(F)c3)c(Br)n21.CCOC(=O)CC1CNC(=O)c2cc(-c3cccc(F)c3)cn21
• InChI: InChI=1S/C17H16BrFN2O3.C17H17FN2O3/c1-2-24-15(22)7-12-9-20-17(23)14-8-13(16(18)21(12)14)10-4-3-5-11(19)6-10;1-2-23-16(21)8-14-9-19-17(22)15-7-12(10-20(14)15)11-4-3-5-13(18)6-11/h3-6,8,12H,2,7,9H2,1H3,(H,20,23);3-7,10,14H,2,8-9H2,1H3,(H,19,22)
• InChIKey: GULZQYVYXGRPEO-UHFFFAOYSA-N
• XLogP: 5.83
• TPSA: 120.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	711.56
LogP ≤ 5	5.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate?

The IUPAC name of ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate (CID 158369852) is ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate.

What is the SMILES notation for ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate?

The canonical SMILES for ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate is CCOC(=O)CC1CNC(=O)c2cc(-c3cccc(F)c3)c(Br)n21.CCOC(=O)CC1CNC(=O)c2cc(-c3cccc(F)c3)cn21.

What is the InChIKey of ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate?

The InChIKey is GULZQYVYXGRPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFN2O3.C17H17FN2O3/c1-2-24-15(22)7-12-9-20-17(23)14-8-13(16(18)21(12)14)10-4-3-5-11(19)6-10;1-2-23-16(21)8-14-9-19-17(22)15-7-12(10-20(14)15)11-4-3-5-13(18)6-11/h3-6,8,12H,2,7,9H2,1H3,(H,20,23);3-7,10,14H,2,8-9H2,1H3,(H,19,22).

What are the key properties of ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate?

ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate has a molecular weight of 711.56 g/mol, XLogP of 5.83, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[6-bromo-7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate;ethyl 2-[7-(3-fluorophenyl)-1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-4-yl]acetate is sourced from PubChem (CID 158369852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).