4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile

C22H20N4SSi — CID 154161372

About 4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile

4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile (PubChem CID 154161372) has the molecular formula C22H20N4SSi and a molecular weight of 400.58 g/mol. Its IUPAC name is 4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile
• PubChem CID: 154161372
• Molecular Formula: C22H20N4SSi
• Molecular Weight: 400.58 g/mol
• Exact Mass: 400.12
• IUPAC Name: 4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile
• SMILES: Cc1c(Nc2c(C#N)cnc3sc(C#C[Si](C)(C)C)cc23)ccc2[nH]ccc12
• InChI: InChI=1S/C22H20N4SSi/c1-14-17-7-9-24-20(17)6-5-19(14)26-21-15(12-23)13-25-22-18(21)11-16(27-22)8-10-28(2,3)4/h5-7,9,11,13,24H,1-4H3,(H,25,26)
• InChIKey: ZUKRRBIBAUEALD-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 64.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.58
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile?

The IUPAC name of 4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile (CID 154161372) is 4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile.

What is the SMILES notation for 4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile?

The canonical SMILES for 4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile is Cc1c(Nc2c(C#N)cnc3sc(C#C[Si](C)(C)C)cc23)ccc2[nH]ccc12.

What is the InChIKey of 4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile?

The InChIKey is ZUKRRBIBAUEALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4SSi/c1-14-17-7-9-24-20(17)6-5-19(14)26-21-15(12-23)13-25-22-18(21)11-16(27-22)8-10-28(2,3)4/h5-7,9,11,13,24H,1-4H3,(H,25,26).

What are the key properties of 4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile?

4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile has a molecular weight of 400.58 g/mol, XLogP of 5.93, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(4-methyl-1H-indol-5-yl)amino]-2-(2-trimethylsilylethynyl)thieno[2,3-b]pyridine-5-carbonitrile is sourced from PubChem (CID 154161372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).