magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride

C52H51ClMgN12O5 — CID 158023683

About magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride

magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride (PubChem CID 158023683) has the molecular formula C52H51ClMgN12O5 and a molecular weight of 983.82 g/mol. Its IUPAC name is magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride.

Molecular Properties

• Compound Name: magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride
• PubChem CID: 158023683
• Molecular Formula: C52H51ClMgN12O5
• Molecular Weight: 983.82 g/mol
• Exact Mass: 982.36
• IUPAC Name: magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride
• SMILES: C1CCOC1.CC(=O)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(-n4cccn4)cc3)c2n1.CC(C)(O)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(-n4cccn4)cc3)c2n1.[CH3-].[Cl-].[Mg+2]
• InChI: InChI=1S/C24H22N6O2.C23H18N6O2.C4H8O.CH3.ClH.Mg/c1-24(2,32)19-7-4-3-6-18(19)21-25-14-20-22(28-21)29(23(31)27-20)15-16-8-10-17(11-9-16)30-13-5-12-26-30;1-15(30)18-5-2-3-6-19(18)21-24-13-20-22(27-21)28(23(31)26-20)14-16-7-9-17(10-8-16)29-12-4-11-25-29;1-2-4-5-3-1;;;/h3-14,32H,15H2,1-2H3,(H,27,31);2-13H,14H2,1H3,(H,26,31);1-4H2;1H3;1H;/q;;;-1;;+2/p-1
• InChIKey: ZKHAVRBFADUWPA-UHFFFAOYSA-M
• XLogP: 4.34
• TPSA: 209.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	983.82
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride?

The IUPAC name of magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride (CID 158023683) is magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride.

What is the SMILES notation for magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride?

The canonical SMILES for magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride is C1CCOC1.CC(=O)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(-n4cccn4)cc3)c2n1.CC(C)(O)c1ccccc1-c1ncc2[nH]c(=O)n(Cc3ccc(-n4cccn4)cc3)c2n1.[CH3-].[Cl-].[Mg+2].

What is the InChIKey of magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride?

The InChIKey is ZKHAVRBFADUWPA-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H22N6O2.C23H18N6O2.C4H8O.CH3.ClH.Mg/c1-24(2,32)19-7-4-3-6-18(19)21-25-14-20-22(28-21)29(23(31)27-20)15-16-8-10-17(11-9-16)30-13-5-12-26-30;1-15(30)18-5-2-3-6-19(18)21-24-13-20-22(27-21)28(23(31)26-20)14-16-7-9-17(10-8-16)29-12-4-11-25-29;1-2-4-5-3-1;;;/h3-14,32H,15H2,1-2H3,(H,27,31);2-13H,14H2,1H3,(H,26,31);1-4H2;1H3;1H;/q;;;-1;;+2/p-1.

What are the key properties of magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride?

magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride has a molecular weight of 983.82 g/mol, XLogP of 4.34, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;2-(2-acetylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;carbanide;2-[2-(2-hydroxypropan-2-yl)phenyl]-9-[(4-pyrazol-1-ylphenyl)methyl]-7H-purin-8-one;oxolane;chloride is sourced from PubChem (CID 158023683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).