2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C34H38FN5O3Si — CID 162687603

About 2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 162687603) has the molecular formula C34H38FN5O3Si and a molecular weight of 611.79 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 162687603
• Molecular Formula: C34H38FN5O3Si
• Molecular Weight: 611.79 g/mol
• Exact Mass: 611.27
• IUPAC Name: 2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: COCCc1ccnc2c(-c3ccccn3)c(-c3ccnc(NC(=O)Cc4ccc(F)cc4)c3)n(COCC[Si](C)(C)C)c12
• InChI: InChI=1S/C34H38FN5O3Si/c1-42-18-14-25-12-17-38-32-31(28-7-5-6-15-36-28)33(40(34(25)32)23-43-19-20-44(2,3)4)26-13-16-37-29(22-26)39-30(41)21-24-8-10-27(35)11-9-24/h5-13,15-17,22H,14,18-21,23H2,1-4H3,(H,37,39,41)
• InChIKey: XCFXCMADBHZQBX-UHFFFAOYSA-N
• XLogP: 6.98
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.79
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	1
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 2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of 2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 162687603) is 2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is COCCc1ccnc2c(-c3ccccn3)c(-c3ccnc(NC(=O)Cc4ccc(F)cc4)c3)n(COCC[Si](C)(C)C)c12.

What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is XCFXCMADBHZQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN5O3Si/c1-42-18-14-25-12-17-38-32-31(28-7-5-6-15-36-28)33(40(34(25)32)23-43-19-20-44(2,3)4)26-13-16-37-29(22-26)39-30(41)21-24-8-10-27(35)11-9-24/h5-13,15-17,22H,14,18-21,23H2,1-4H3,(H,37,39,41).

What are the key properties of 2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 611.79 g/mol, XLogP of 6.98, 13 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-[4-[7-(2-methoxyethyl)-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 162687603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).