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

C78H73Br4ClF5K2MgN9O17 — CID 161263668

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

magnesium;dipotassium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-7-fluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4-fluoropyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;7-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;hydride;methyl 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;oxido formate;chloride (PubChem CID 161263668) has the molecular formula C78H73Br4ClF5K2MgN9O17 and a molecular weight of 1961.05 g/mol. Its IUPAC name is magnesium;dipotassium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-7-fluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4-fluoropyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;7-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;hydride;methyl 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;oxido formate;chloride.

Molecular Properties

• Compound Name: magnesium;dipotassium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-7-fluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4-fluoropyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;7-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;hydride;methyl 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;oxido formate;chloride
• PubChem CID: 161263668
• Molecular Formula: C78H73Br4ClF5K2MgN9O17
• Molecular Weight: 1961.05 g/mol
• Exact Mass: 1955.06
• IUPAC Name: magnesium;dipotassium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-7-fluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4-fluoropyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;7-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;hydride;methyl 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;oxido formate;chloride
• SMILES: CC(=O)O.CC(C)(O)c1ccc(-c2cn3cc(F)cc3c(=O)[nH]2)cc1.CCOC(=O)c1cc(F)c[nH]1.CCOC(=O)c1cc(F)cn1CC(=O)c1ccc(Br)cc1.COC(=O)c1ccc(-c2cn3cc(F)cc3c(=O)[nH]2)cc1.N.O=C(CBr)c1ccc(Br)cc1.O=CO[O-].O=c1[nH]c(-c2ccc(Br)cc2)cn2cc(F)cc12.[CH3-].[Cl-].[H-].[K+].[K+].[Mg+2]
• InChI: InChI=1S/C16H15FN2O2.C15H13BrFNO3.C15H11FN2O3.C13H8BrFN2O.C8H6Br2O.C7H8FNO2.C2H4O2.CH2O3.CH3.ClH.2K.Mg.H3N.H/c1-16(2,21)11-5-3-10(4-6-11)13-9-19-8-12(17)7-14(19)15(20)18-13;1-2-21-15(20)13-7-12(17)8-18(13)9-14(19)10-3-5-11(16)6-4-10;1-21-15(20)10-4-2-9(3-5-10)12-8-18-7-11(16)6-13(18)14(19)17-12;14-9-3-1-8(2-4-9)11-7-17-6-10(15)5-12(17)13(18)16-11;9-5-8(11)6-1-3-7(10)4-2-6;1-2-11-7(10)6-3-5(8)4-9-6;1-2(3)4;2-1-4-3;;;;;;;/h3-9,21H,1-2H3,(H,18,20);3-8H,2,9H2,1H3;2-8H,1H3,(H,17,19);1-7H,(H,16,18);1-4H,5H2;3-4,9H,2H2,1H3;1H3,(H,3,4);1,3H;1H3;1H;;;;1H3;/q;;;;;;;;-1;;2*+1;+2;;-1/p-2
• InChIKey: AVTNLOKKKCUMTB-UHFFFAOYSA-L
• XLogP: 5.77
• TPSA: 387.46 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 117
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1961.05
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of magnesium;dipotassium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-7-fluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4-fluoropyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;7-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;hydride;methyl 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;oxido formate;chloride (CID 161263668) is magnesium;dipotassium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-7-fluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4-fluoropyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;7-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;hydride;methyl 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;oxido formate;chloride.

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

The canonical SMILES for magnesium;dipotassium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-7-fluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4-fluoropyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;7-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;hydride;methyl 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;oxido formate;chloride is CC(=O)O.CC(C)(O)c1ccc(-c2cn3cc(F)cc3c(=O)[nH]2)cc1.CCOC(=O)c1cc(F)c[nH]1.CCOC(=O)c1cc(F)cn1CC(=O)c1ccc(Br)cc1.COC(=O)c1ccc(-c2cn3cc(F)cc3c(=O)[nH]2)cc1.N.O=C(CBr)c1ccc(Br)cc1.O=CO[O-].O=c1[nH]c(-c2ccc(Br)cc2)cn2cc(F)cc12.[CH3-].[Cl-].[H-].[K+].[K+].[Mg+2].

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

The InChIKey is AVTNLOKKKCUMTB-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H15FN2O2.C15H13BrFNO3.C15H11FN2O3.C13H8BrFN2O.C8H6Br2O.C7H8FNO2.C2H4O2.CH2O3.CH3.ClH.2K.Mg.H3N.H/c1-16(2,21)11-5-3-10(4-6-11)13-9-19-8-12(17)7-14(19)15(20)18-13;1-2-21-15(20)13-7-12(17)8-18(13)9-14(19)10-3-5-11(16)6-4-10;1-21-15(20)10-4-2-9(3-5-10)12-8-18-7-11(16)6-13(18)14(19)17-12;14-9-3-1-8(2-4-9)11-7-17-6-10(15)5-12(17)13(18)16-11;9-5-8(11)6-1-3-7(10)4-2-6;1-2-11-7(10)6-3-5(8)4-9-6;1-2(3)4;2-1-4-3;;;;;;;/h3-9,21H,1-2H3,(H,18,20);3-8H,2,9H2,1H3;2-8H,1H3,(H,17,19);1-7H,(H,16,18);1-4H,5H2;3-4,9H,2H2,1H3;1H3,(H,3,4);1,3H;1H3;1H;;;;1H3;/q;;;;;;;;-1;;2*+1;+2;;-1/p-2.

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

magnesium;dipotassium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-7-fluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4-fluoropyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;7-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;hydride;methyl 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;oxido formate;chloride has a molecular weight of 1961.05 g/mol, XLogP of 5.77, 15 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;dipotassium;acetic acid;azane;2-bromo-1-(4-bromophenyl)ethanone;3-(4-bromophenyl)-7-fluoro-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;ethyl 1-[2-(4-bromophenyl)-2-oxoethyl]-4-fluoropyrrole-2-carboxylate;ethyl 4-fluoro-1H-pyrrole-2-carboxylate;7-fluoro-3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;hydride;methyl 4-(7-fluoro-1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;oxido formate;chloride is sourced from PubChem (CID 161263668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).