magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide

C56H61BrMgN10O7 — CID 158108603

About magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide

magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide (PubChem CID 158108603) has the molecular formula C56H61BrMgN10O7 and a molecular weight of 1090.38 g/mol. Its IUPAC name is magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide.

Molecular Properties

• Compound Name: magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide
• PubChem CID: 158108603
• Molecular Formula: C56H61BrMgN10O7
• Molecular Weight: 1090.38 g/mol
• Exact Mass: 1088.38
• IUPAC Name: magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide
• SMILES: C1CCOC1.CC(=O)c1ccc2c(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cnn2c1.CC(C)(O)c1ccc2c(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cnn2c1.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C26H27N5O3.C25H23N5O3.C4H8O.CH3.BrH.Mg/c1-25(2,34)16-7-8-21-20(13-27-31(21)14-16)23(32)28-17-11-26(12-17)9-15(10-26)22-18-5-3-4-6-19(18)24(33)30-29-22;1-14(31)15-6-7-21-20(12-26-30(21)13-15)23(32)27-17-10-25(11-17)8-16(9-25)22-18-4-2-3-5-19(18)24(33)29-28-22;1-2-4-5-3-1;;;/h3-8,13-15,17,34H,9-12H2,1-2H3,(H,28,32)(H,30,33);2-7,12-13,16-17H,8-11H2,1H3,(H,27,32)(H,29,33);1-4H2;1H3;1H;/q;;;-1;;+2/p-1
• InChIKey: VNFRCSUQXGBADH-UHFFFAOYSA-M
• XLogP: 4.35
• TPSA: 230.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1090.38
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide?

The IUPAC name of magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide (CID 158108603) is magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide.

What is the SMILES notation for magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide?

The canonical SMILES for magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide is C1CCOC1.CC(=O)c1ccc2c(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cnn2c1.CC(C)(O)c1ccc2c(C(=O)NC3CC4(C3)CC(c3n[nH]c(=O)c5ccccc35)C4)cnn2c1.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide?

The InChIKey is VNFRCSUQXGBADH-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H27N5O3.C25H23N5O3.C4H8O.CH3.BrH.Mg/c1-25(2,34)16-7-8-21-20(13-27-31(21)14-16)23(32)28-17-11-26(12-17)9-15(10-26)22-18-5-3-4-6-19(18)24(33)30-29-22;1-14(31)15-6-7-21-20(12-26-30(21)13-15)23(32)27-17-10-25(11-17)8-16(9-25)22-18-4-2-3-5-19(18)24(33)29-28-22;1-2-4-5-3-1;;;/h3-8,13-15,17,34H,9-12H2,1-2H3,(H,28,32)(H,30,33);2-7,12-13,16-17H,8-11H2,1H3,(H,27,32)(H,29,33);1-4H2;1H3;1H;/q;;;-1;;+2/p-1.

What are the key properties of magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide?

magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide has a molecular weight of 1090.38 g/mol, XLogP of 4.35, 8 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;6-acetyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;carbanide;6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;oxolane;bromide is sourced from PubChem (CID 158108603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).