8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid

C27H36N2O4Si — CID 91595073

About 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid

8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 91595073) has the molecular formula C27H36N2O4Si and a molecular weight of 480.68 g/mol. Its IUPAC name is 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid
• PubChem CID: 91595073
• Molecular Formula: C27H36N2O4Si
• Molecular Weight: 480.68 g/mol
• Exact Mass: 480.24
• IUPAC Name: 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid
• SMILES: Cc1nc2c(O[Si](C)(C)C(C)(C)C(C)C)c(CCC(=O)c3ccccc3)c(C(=O)O)cn2c1C
• InChI: InChI=1S/C27H36N2O4Si/c1-17(2)27(5,6)34(7,8)33-24-21(14-15-23(30)20-12-10-9-11-13-20)22(26(31)32)16-29-19(4)18(3)28-25(24)29/h9-13,16-17H,14-15H2,1-8H3,(H,31,32)
• InChIKey: SGOWXVNNVYNINZ-UHFFFAOYSA-N
• XLogP: 6.48
• TPSA: 80.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.68
LogP ≤ 5	6.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid?

The IUPAC name of 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 91595073) is 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid.

What is the SMILES notation for 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid?

The canonical SMILES for 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid is Cc1nc2c(O[Si](C)(C)C(C)(C)C(C)C)c(CCC(=O)c3ccccc3)c(C(=O)O)cn2c1C.

What is the InChIKey of 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid?

The InChIKey is SGOWXVNNVYNINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4Si/c1-17(2)27(5,6)34(7,8)33-24-21(14-15-23(30)20-12-10-9-11-13-20)22(26(31)32)16-29-19(4)18(3)28-25(24)29/h9-13,16-17H,14-15H2,1-8H3,(H,31,32).

What are the key properties of 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid?

8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 480.68 g/mol, XLogP of 6.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[2,3-dimethylbutan-2-yl(dimethyl)silyl]oxy-2,3-dimethyl-7-(3-oxo-3-phenylpropyl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 91595073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).