magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride

C45H40BrClMgN6O6 — CID 158267865

About magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride

magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride (PubChem CID 158267865) has the molecular formula C45H40BrClMgN6O6 and a molecular weight of 900.51 g/mol. Its IUPAC name is magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride.

Molecular Properties

• Compound Name: magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride
• PubChem CID: 158267865
• Molecular Formula: C45H40BrClMgN6O6
• Molecular Weight: 900.51 g/mol
• Exact Mass: 898.17
• IUPAC Name: magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride
• SMILES: CC(C)(O)c1ccc(-c2cn3cccc3c(=O)[nH]2)cc1.COC(=O)c1ccc(-c2cn3cccc3c(=O)[nH]2)cc1.O=c1[nH]c(-c2ccc(Br)cc2)cn2cccc12.[CH3-].[Cl-].[Mg+2]
• InChI: InChI=1S/C16H16N2O2.C15H12N2O3.C13H9BrN2O.CH3.ClH.Mg/c1-16(2,20)12-7-5-11(6-8-12)13-10-18-9-3-4-14(18)15(19)17-13;1-20-15(19)11-6-4-10(5-7-11)12-9-17-8-2-3-13(17)14(18)16-12;14-10-5-3-9(4-6-10)11-8-16-7-1-2-12(16)13(17)15-11;;;/h3-10,20H,1-2H3,(H,17,19);2-9H,1H3,(H,16,18);1-8H,(H,15,17);1H3;1H;/q;;;-1;;+2/p-1
• InChIKey: IFADUWZGSRBTFT-UHFFFAOYSA-M
• XLogP: 4.73
• TPSA: 158.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	900.51
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride?

The IUPAC name of magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride (CID 158267865) is magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride.

What is the SMILES notation for magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride?

The canonical SMILES for magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride is CC(C)(O)c1ccc(-c2cn3cccc3c(=O)[nH]2)cc1.COC(=O)c1ccc(-c2cn3cccc3c(=O)[nH]2)cc1.O=c1[nH]c(-c2ccc(Br)cc2)cn2cccc12.[CH3-].[Cl-].[Mg+2].

What is the InChIKey of magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride?

The InChIKey is IFADUWZGSRBTFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H16N2O2.C15H12N2O3.C13H9BrN2O.CH3.ClH.Mg/c1-16(2,20)12-7-5-11(6-8-12)13-10-18-9-3-4-14(18)15(19)17-13;1-20-15(19)11-6-4-10(5-7-11)12-9-17-8-2-3-13(17)14(18)16-12;14-10-5-3-9(4-6-10)11-8-16-7-1-2-12(16)13(17)15-11;;;/h3-10,20H,1-2H3,(H,17,19);2-9H,1H3,(H,16,18);1-8H,(H,15,17);1H3;1H;/q;;;-1;;+2/p-1.

What are the key properties of magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride?

magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride has a molecular weight of 900.51 g/mol, XLogP of 4.73, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;3-(4-bromophenyl)-2H-pyrrolo[1,2-a]pyrazin-1-one;carbanide;3-[4-(2-hydroxypropan-2-yl)phenyl]-2H-pyrrolo[1,2-a]pyrazin-1-one;methyl 4-(1-oxo-2H-pyrrolo[1,2-a]pyrazin-3-yl)benzoate;chloride is sourced from PubChem (CID 158267865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).