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

C26H31N5O3Si — CID 162687673

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

N-[4-[5-methoxy-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 162687673) has the molecular formula C26H31N5O3Si and a molecular weight of 489.65 g/mol. Its IUPAC name is N-[4-[5-methoxy-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[5-methoxy-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 162687673
• Molecular Formula: C26H31N5O3Si
• Molecular Weight: 489.65 g/mol
• Exact Mass: 489.22
• IUPAC Name: N-[4-[5-methoxy-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: COc1ccc2c(n1)c(-c1ccccn1)c(-c1ccnc(NC(C)=O)c1)n2COCC[Si](C)(C)C
• InChI: InChI=1S/C26H31N5O3Si/c1-18(32)29-22-16-19(11-13-28-22)26-24(20-8-6-7-12-27-20)25-21(9-10-23(30-25)33-2)31(26)17-34-14-15-35(3,4)5/h6-13,16H,14-15,17H2,1-5H3,(H,28,29,32)
• InChIKey: MAVMIAUPWMKIDQ-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 91.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.65
LogP ≤ 5	5.44
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 N-[4-[5-methoxy-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[5-methoxy-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 162687673) is N-[4-[5-methoxy-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

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

The canonical SMILES for N-[4-[5-methoxy-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is COc1ccc2c(n1)c(-c1ccccn1)c(-c1ccnc(NC(C)=O)c1)n2COCC[Si](C)(C)C.

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

The InChIKey is MAVMIAUPWMKIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3Si/c1-18(32)29-22-16-19(11-13-28-22)26-24(20-8-6-7-12-27-20)25-21(9-10-23(30-25)33-2)31(26)17-34-14-15-35(3,4)5/h6-13,16H,14-15,17H2,1-5H3,(H,28,29,32).

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

N-[4-[5-methoxy-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 489.65 g/mol, XLogP of 5.44, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-methoxy-3-pyridin-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 162687673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).