magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride

C29H39ClMgN4O2 — CID 157091211

About magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride

magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride (PubChem CID 157091211) has the molecular formula C29H39ClMgN4O2 and a molecular weight of 535.42 g/mol. Its IUPAC name is magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride.

Molecular Properties

• Compound Name: magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride
• PubChem CID: 157091211
• Molecular Formula: C29H39ClMgN4O2
• Molecular Weight: 535.42 g/mol
• Exact Mass: 534.26
• IUPAC Name: magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride
• SMILES: C.O=Cc1cccc2cncn12.OC(c1cccc2cncn12)C1CCCCC1.[CH-]1CCCCC1.[Cl-].[Mg+2]
• InChI: InChI=1S/C14H18N2O.C8H6N2O.C6H11.CH4.ClH.Mg/c17-14(11-5-2-1-3-6-11)13-8-4-7-12-9-15-10-16(12)13;11-5-8-3-1-2-7-4-9-6-10(7)8;1-2-4-6-5-3-1;;;/h4,7-11,14,17H,1-3,5-6H2;1-6H;1H,2-6H2;1H4;1H;/q;;-1;;;+2/p-1
• InChIKey: VZTYUHWFXHCKHF-UHFFFAOYSA-M
• XLogP: 3.51
• TPSA: 71.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.42
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride?

The IUPAC name of magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride (CID 157091211) is magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride.

What is the SMILES notation for magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride?

The canonical SMILES for magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride is C.O=Cc1cccc2cncn12.OC(c1cccc2cncn12)C1CCCCC1.[CH-]1CCCCC1.[Cl-].[Mg+2].

What is the InChIKey of magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride?

The InChIKey is VZTYUHWFXHCKHF-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H18N2O.C8H6N2O.C6H11.CH4.ClH.Mg/c17-14(11-5-2-1-3-6-11)13-8-4-7-12-9-15-10-16(12)13;11-5-8-3-1-2-7-4-9-6-10(7)8;1-2-4-6-5-3-1;;;/h4,7-11,14,17H,1-3,5-6H2;1-6H;1H,2-6H2;1H4;1H;/q;;-1;;;+2/p-1.

What are the key properties of magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride?

magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride has a molecular weight of 535.42 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;cyclohexane;cyclohexyl(imidazo[1,5-a]pyridin-5-yl)methanol;imidazo[1,5-a]pyridine-5-carbaldehyde;methane;chloride is sourced from PubChem (CID 157091211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).