Magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide

C₃₀H₃₃BrMgN₁₀O₂ — CID 158101303

About Magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide

Magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide (PubChem CID 158101303) has the molecular formula C₃₀H₃₃BrMgN₁₀O₂ and a molecular weight of 669.87 g/mol. Its IUPAC name is magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide.

Molecular Properties

• Compound Name: Magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide
• PubChem CID: 158101303
• Molecular Formula: C₃₀H₃₃BrMgN₁₀O₂
• Molecular Weight: 669.87 g/mol
• Exact Mass: 668.18
• IUPAC Name: magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide
• SMILES: CC(O)c1cnn(Cc2nc3ccc(C4CC4)cn3n2)c1.O=Cc1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C15H17N5O.C14H13N5O.CH3.BrH.Mg/c1-10(21)13-6-16-19(7-13)9-14-17-15-5-4-12(11-2-3-11)8-20(15)18-14;20-9-13-8-19(17-16-13)7-12-6-18-5-11(10-1-2-10)3-4-14(18)15-12;;;/h4-8,10-11,21H,2-3,9H2,1H3;3-6,8-10H,1-2,7H2;1H3;1H;/q;;-1;;+2/p-1
• InChIKey: SNZGRSIZYUJPRO-UHFFFAOYSA-M
• XLogP: 0.64
• TPSA: 133.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	669.87
LogP ≤ 5	0.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide?

The IUPAC name of Magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide (CID 158101303) is magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide.

What is the SMILES notation for Magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide?

The canonical SMILES for Magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide is CC(O)c1cnn(Cc2nc3ccc(C4CC4)cn3n2)c1.O=Cc1cn(Cc2cn3cc(C4CC4)ccc3n2)nn1.[Br-].[CH3-].[Mg+2].

What is the InChIKey of Magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide?

The InChIKey is SNZGRSIZYUJPRO-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H17N5O.C14H13N5O.CH3.BrH.Mg/c1-10(21)13-6-16-19(7-13)9-14-17-15-5-4-12(11-2-3-11)8-20(15)18-14;20-9-13-8-19(17-16-13)7-12-6-18-5-11(10-1-2-10)3-4-14(18)15-12;;;/h4-8,10-11,21H,2-3,9H2,1H3;3-6,8-10H,1-2,7H2;1H3;1H;/q;;-1;;+2/p-1.

What are the key properties of Magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide?

Magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide has a molecular weight of 669.87 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for Magnesium;carbanide;1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carbaldehyde;1-[1-[(6-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methyl]pyrazol-4-yl]ethanol;bromide is sourced from PubChem (CID 158101303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158101303 — identifiers, structure, computed properties (public domain)

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