5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

C26H31N5O4Si — CID 58506113

About 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid

5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 58506113) has the molecular formula C26H31N5O4Si and a molecular weight of 505.65 g/mol. Its IUPAC name is 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
• PubChem CID: 58506113
• Molecular Formula: C26H31N5O4Si
• Molecular Weight: 505.65 g/mol
• Exact Mass: 505.21
• IUPAC Name: 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid
• SMILES: Cc1c(-c2ccc3[nH]c(C(=O)O)cc3n2)nc(C(=O)CCc2ccncc2)n1COCC[Si](C)(C)C
• InChI: InChI=1S/C26H31N5O4Si/c1-17-24(20-7-6-19-21(29-20)15-22(28-19)26(33)34)30-25(31(17)16-35-13-14-36(2,3)4)23(32)8-5-18-9-11-27-12-10-18/h6-7,9-12,15,28H,5,8,13-14,16H2,1-4H3,(H,33,34)
• InChIKey: ZTBQGLFLMWQRJY-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 122.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.65
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?

The IUPAC name of 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 58506113) is 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid.

What is the SMILES notation for 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?

The canonical SMILES for 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is Cc1c(-c2ccc3[nH]c(C(=O)O)cc3n2)nc(C(=O)CCc2ccncc2)n1COCC[Si](C)(C)C.

What is the InChIKey of 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?

The InChIKey is ZTBQGLFLMWQRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4Si/c1-17-24(20-7-6-19-21(29-20)15-22(28-19)26(33)34)30-25(31(17)16-35-13-14-36(2,3)4)23(32)8-5-18-9-11-27-12-10-18/h6-7,9-12,15,28H,5,8,13-14,16H2,1-4H3,(H,33,34).

What are the key properties of 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid?

5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 505.65 g/mol, XLogP of 4.96, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-methyl-2-(3-pyridin-4-ylpropanoyl)-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-1H-pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 58506113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).