magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride

C84H74Br4ClF11MgN10O16 — CID 158154126

About magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride

magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride (PubChem CID 158154126) has the molecular formula C84H74Br4ClF11MgN10O16 and a molecular weight of 2067.92 g/mol. Its IUPAC name is magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride.

Molecular Properties

• Compound Name: magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride
• PubChem CID: 158154126
• Molecular Formula: C84H74Br4ClF11MgN10O16
• Molecular Weight: 2067.92 g/mol
• Exact Mass: 2062.14
• IUPAC Name: magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride
• SMILES: CC(=O)O.CC(C)(O)c1ccc(-c2cn3c(F)c(F)cc3c(=O)[nH]2)cc1.CCOC(=O)c1cc(F)c(F)[nH]1.CCOC(=O)c1cc(F)c(F)n1CC(=O)c1ccc(Br)cc1.CCOC(=O)c1cc(F)c[nH]1.COC(=O)c1ccc(-c2cn3c(F)c(F)cc3c(=O)[nH]2)cc1.N.O=C(CBr)c1ccc(Br)cc1.O=c1[nH]c(-c2ccc(Br)cc2)cn2c(F)c(F)cc12.[CH3-].[Cl-].[Mg+2]
• InChI: InChI=1S/C16H14F2N2O2.C15H12BrF2NO3.C15H10F2N2O3.C13H7BrF2N2O.C8H6Br2O.C7H7F2NO2.C7H8FNO2.C2H4O2.CH3.ClH.Mg.H3N/c1-16(2,22)10-5-3-9(4-6-10)12-8-20-13(15(21)19-12)7-11(17)14(20)18;1-2-22-15(21)12-7-11(17)14(18)19(12)8-13(20)9-3-5-10(16)6-4-9;1-22-15(21)9-4-2-8(3-5-9)11-7-19-12(14(20)18-11)6-10(16)13(19)17;14-8-3-1-7(2-4-8)10-6-18-11(13(19)17-10)5-9(15)12(18)16;9-5-8(11)6-1-3-7(10)4-2-6;1-2-12-7(11)5-3-4(8)6(9)10-5;1-2-11-7(10)6-3-5(8)4-9-6;1-2(3)4;;;;/h3-8,22H,1-2H3,(H,19,21);3-7H,2,8H2,1H3;2-7H,1H3,(H,18,20);1-6H,(H,17,19);1-4H,5H2;3,10H,2H2,1H3;3-4,9H,2H2,1H3;1H3,(H,3,4);1H3;1H;;1H3/q;;;;;;;;-1;;+2;/p-1
• InChIKey: XROQROQNVRNTSJ-UHFFFAOYSA-M
• XLogP: 15.24
• TPSA: 380.19 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 16
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2067.92
LogP ≤ 5	15.24
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride?

The IUPAC name of magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride (CID 158154126) is magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride.

What is the SMILES notation for magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride?

The canonical SMILES for magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride is CC(=O)O.CC(C)(O)c1ccc(-c2cn3c(F)c(F)cc3c(=O)[nH]2)cc1.CCOC(=O)c1cc(F)c(F)[nH]1.CCOC(=O)c1cc(F)c(F)n1CC(=O)c1ccc(Br)cc1.CCOC(=O)c1cc(F)c[nH]1.COC(=O)c1ccc(-c2cn3c(F)c(F)cc3c(=O)[nH]2)cc1.N.O=C(CBr)c1ccc(Br)cc1.O=c1[nH]c(-c2ccc(Br)cc2)cn2c(F)c(F)cc12.[CH3-].[Cl-].[Mg+2].

What is the InChIKey of magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride?

The InChIKey is XROQROQNVRNTSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14F2N2O2.C15H12BrF2NO3.C15H10F2N2O3.C13H7BrF2N2O.C8H6Br2O.C7H7F2NO2.C7H8FNO2.C2H4O2.CH3.ClH.Mg.H3N/c1-16(2,22)10-5-3-9(4-6-10)12-8-20-13(15(21)19-12)7-11(17)14(20)18;1-2-22-15(21)12-7-11(17)14(18)19(12)8-13(20)9-3-5-10(16)6-4-9;1-22-15(21)9-4-2-8(3-5-9)11-7-19-12(14(20)18-11)6-10(16)13(19)17;14-8-3-1-7(2-4-8)10-6-18-11(13(19)17-10)5-9(15)12(18)16;9-5-8(11)6-1-3-7(10)4-2-6;1-2-12-7(11)5-3-4(8)6(9)10-5;1-2-11-7(10)6-3-5(8)4-9-6;1-2(3)4;;;;/h3-8,22H,1-2H3,(H,19,21);3-7H,2,8H2,1H3;2-7H,1H3,(H,18,20);1-6H,(H,17,19);1-4H,5H2;3,10H,2H2,1H3;3-4,9H,2H2,1H3;1H3,(H,3,4);1H3;1H;;1H3/q;;;;;;;;-1;;+2;/p-1.

What are the key properties of magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride?

magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride has a molecular weight of 2067.92 g/mol, XLogP of 15.24, 16 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-6,7-difluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;6,7-difluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4,5-difluoropyrrole-2-carboxylate;ethyl 4,5-difluoro-1H-pyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;methyl 4-(6,7-difluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride is sourced from PubChem (CID 158154126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).