2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C19H23FIN3O2Si — CID 175820196

About 2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 175820196) has the molecular formula C19H23FIN3O2Si and a molecular weight of 499.40 g/mol. Its IUPAC name is 2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 175820196
• Molecular Formula: C19H23FIN3O2Si
• Molecular Weight: 499.40 g/mol
• Exact Mass: 499.06
• IUPAC Name: 2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: COc1cccc(F)c1-c1cncc2c1c(I)nn2COCC[Si](C)(C)C
• InChI: InChI=1S/C19H23FIN3O2Si/c1-25-16-7-5-6-14(20)17(16)13-10-22-11-15-18(13)19(21)23-24(15)12-26-8-9-27(2,3)4/h5-7,10-11H,8-9,12H2,1-4H3
• InChIKey: RZIUSEAWSJBHIM-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 49.17 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.40
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 175820196) is 2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1cccc(F)c1-c1cncc2c1c(I)nn2COCC[Si](C)(C)C.

What is the InChIKey of 2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is RZIUSEAWSJBHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FIN3O2Si/c1-25-16-7-5-6-14(20)17(16)13-10-22-11-15-18(13)19(21)23-24(15)12-26-8-9-27(2,3)4/h5-7,10-11H,8-9,12H2,1-4H3.

What are the key properties of 2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane?

2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 499.40 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(2-fluoro-6-methoxyphenyl)-3-iodopyrazolo[3,4-c]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 175820196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).