N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C26H31N5O4Si — CID 140726687

About N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 140726687) has the molecular formula C26H31N5O4Si and a molecular weight of 505.65 g/mol. Its IUPAC name is N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 140726687
• Molecular Formula: C26H31N5O4Si
• Molecular Weight: 505.65 g/mol
• Exact Mass: 505.21
• IUPAC Name: N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: CC(=O)Nc1cc(-c2c(-c3ccc(CO)cn3)c3ncc(O)cc3n2COCC[Si](C)(C)C)ccn1
• InChI: InChI=1S/C26H31N5O4Si/c1-17(33)30-23-11-19(7-8-27-23)26-24(21-6-5-18(15-32)13-28-21)25-22(12-20(34)14-29-25)31(26)16-35-9-10-36(2,3)4/h5-8,11-14,32,34H,9-10,15-16H2,1-4H3,(H,27,30,33)
• InChIKey: UHDXPAXUMZRBEH-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 122.39 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.65
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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 N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 140726687) is N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2c(-c3ccc(CO)cn3)c3ncc(O)cc3n2COCC[Si](C)(C)C)ccn1.

What is the InChIKey of N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is UHDXPAXUMZRBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O4Si/c1-17(33)30-23-11-19(7-8-27-23)26-24(21-6-5-18(15-32)13-28-21)25-22(12-20(34)14-29-25)31(26)16-35-9-10-36(2,3)4/h5-8,11-14,32,34H,9-10,15-16H2,1-4H3,(H,27,30,33).

What are the key properties of N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 505.65 g/mol, XLogP of 4.63, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-hydroxy-3-[5-(hydroxymethyl)-2-pyridinyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 140726687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).