N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C24H31N3O2Si — CID 163251034

About N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 163251034) has the molecular formula C24H31N3O2Si and a molecular weight of 421.62 g/mol. Its IUPAC name is N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
• PubChem CID: 163251034
• Molecular Formula: C24H31N3O2Si
• Molecular Weight: 421.62 g/mol
• Exact Mass: 421.22
• IUPAC Name: N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
• SMILES: Cc1ccccc1-c1cn(COCC[Si](C)(C)C)c2nc(NC(=O)C3CC3)ccc12
• InChI: InChI=1S/C24H31N3O2Si/c1-17-7-5-6-8-19(17)21-15-27(16-29-13-14-30(2,3)4)23-20(21)11-12-22(25-23)26-24(28)18-9-10-18/h5-8,11-12,15,18H,9-10,13-14,16H2,1-4H3,(H,25,26,28)
• InChIKey: OAMBAADGWDPOFE-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.62
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

The IUPAC name of N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 163251034) is N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is Cc1ccccc1-c1cn(COCC[Si](C)(C)C)c2nc(NC(=O)C3CC3)ccc12.

What is the InChIKey of N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

The InChIKey is OAMBAADGWDPOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2Si/c1-17-7-5-6-8-19(17)21-15-27(16-29-13-14-30(2,3)4)23-20(21)11-12-22(25-23)26-24(28)18-9-10-18/h5-8,11-12,15,18H,9-10,13-14,16H2,1-4H3,(H,25,26,28).

What are the key properties of N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 421.62 g/mol, XLogP of 5.67, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(2-methylphenyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 163251034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).