N-[4-[7-ethenyl-3-pyridin-2-yl-1-[2-(2-triethylsilylethoxy)ethyl]pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

C31H39N5O2Si — CID 172833087

About N-[4-[7-ethenyl-3-pyridin-2-yl-1-[2-(2-triethylsilylethoxy)ethyl]pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide

N-[4-[7-ethenyl-3-pyridin-2-yl-1-[2-(2-triethylsilylethoxy)ethyl]pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 172833087) has the molecular formula C31H39N5O2Si and a molecular weight of 541.77 g/mol. Its IUPAC name is N-[4-[7-ethenyl-3-pyridin-2-yl-1-[2-(2-triethylsilylethoxy)ethyl]pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[4-[7-ethenyl-3-pyridin-2-yl-1-[2-(2-triethylsilylethoxy)ethyl]pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 172833087
• Molecular Formula: C31H39N5O2Si
• Molecular Weight: 541.77 g/mol
• Exact Mass: 541.29
• IUPAC Name: N-[4-[7-ethenyl-3-pyridin-2-yl-1-[2-(2-triethylsilylethoxy)ethyl]pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: C=Cc1ccnc2c(-c3ccccn3)c(-c3ccnc(NC(C)=O)c3)n(CCOCC[Si](CC)(CC)CC)c12
• InChI: InChI=1S/C31H39N5O2Si/c1-6-24-13-17-34-29-28(26-12-10-11-15-32-26)30(25-14-16-33-27(22-25)35-23(5)37)36(31(24)29)18-19-38-20-21-39(7-2,8-3)9-4/h6,10-17,22H,1,7-9,18-21H2,2-5H3,(H,33,35,37)
• InChIKey: VTUPCNACNHTHFI-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.77
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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-[7-ethenyl-3-pyridin-2-yl-1-[2-(2-triethylsilylethoxy)ethyl]pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of N-[4-[7-ethenyl-3-pyridin-2-yl-1-[2-(2-triethylsilylethoxy)ethyl]pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide (CID 172833087) is N-[4-[7-ethenyl-3-pyridin-2-yl-1-[2-(2-triethylsilylethoxy)ethyl]pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide.

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

The canonical SMILES for N-[4-[7-ethenyl-3-pyridin-2-yl-1-[2-(2-triethylsilylethoxy)ethyl]pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is C=Cc1ccnc2c(-c3ccccn3)c(-c3ccnc(NC(C)=O)c3)n(CCOCC[Si](CC)(CC)CC)c12.

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

The InChIKey is VTUPCNACNHTHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O2Si/c1-6-24-13-17-34-29-28(26-12-10-11-15-32-26)30(25-14-16-33-27(22-25)35-23(5)37)36(31(24)29)18-19-38-20-21-39(7-2,8-3)9-4/h6,10-17,22H,1,7-9,18-21H2,2-5H3,(H,33,35,37).

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

N-[4-[7-ethenyl-3-pyridin-2-yl-1-[2-(2-triethylsilylethoxy)ethyl]pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 541.77 g/mol, XLogP of 7.29, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[7-ethenyl-3-pyridin-2-yl-1-[2-(2-triethylsilylethoxy)ethyl]pyrrolo[3,2-b]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 172833087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).