6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide

C28H40F4N4O3Si2 — CID 140778768

About 6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide

6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 140778768) has the molecular formula C28H40F4N4O3Si2 and a molecular weight of 612.82 g/mol. Its IUPAC name is 6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 140778768
• Molecular Formula: C28H40F4N4O3Si2
• Molecular Weight: 612.82 g/mol
• Exact Mass: 612.26
• IUPAC Name: 6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: CNC(=O)c1nn(COCC[Si](C)(C)C)c2cc(-c3cc(F)c(COCC[Si](C)(C)C)cc3CC(F)(F)F)ncc12
• InChI: InChI=1S/C28H40F4N4O3Si2/c1-33-27(37)26-22-16-34-24(14-25(22)36(35-26)18-39-9-11-41(5,6)7)21-13-23(29)20(12-19(21)15-28(30,31)32)17-38-8-10-40(2,3)4/h12-14,16H,8-11,15,17-18H2,1-7H3,(H,33,37)
• InChIKey: SPIIBORZUOOPNT-UHFFFAOYSA-N
• XLogP: 6.87
• TPSA: 78.27 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.82
LogP ≤ 5	6.87
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 6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of 6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide (CID 140778768) is 6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for 6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for 6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide is CNC(=O)c1nn(COCC[Si](C)(C)C)c2cc(-c3cc(F)c(COCC[Si](C)(C)C)cc3CC(F)(F)F)ncc12.

What is the InChIKey of 6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is SPIIBORZUOOPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40F4N4O3Si2/c1-33-27(37)26-22-16-34-24(14-25(22)36(35-26)18-39-9-11-41(5,6)7)21-13-23(29)20(12-19(21)15-28(30,31)32)17-38-8-10-40(2,3)4/h12-14,16H,8-11,15,17-18H2,1-7H3,(H,33,37).

What are the key properties of 6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide?

6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 612.82 g/mol, XLogP of 6.87, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-fluoro-2-(2,2,2-trifluoroethyl)-4-(2-trimethylsilylethoxymethyl)phenyl]-N-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 140778768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).