N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide

C28H32F3N7O3Si — CID 169111023

About N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide (PubChem CID 169111023) has the molecular formula C28H32F3N7O3Si and a molecular weight of 599.69 g/mol. Its IUPAC name is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide.

Molecular Properties

• Compound Name: N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
• PubChem CID: 169111023
• Molecular Formula: C28H32F3N7O3Si
• Molecular Weight: 599.69 g/mol
• Exact Mass: 599.23
• IUPAC Name: N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide
• SMILES: C[Si](C)(C)CCOCn1ncc2c(N)ncc(NC(=O)C(=O)N(Cc3ccccc3)Cc3cccc(C(F)(F)F)n3)c21
• InChI: InChI=1S/C28H32F3N7O3Si/c1-42(2,3)13-12-41-18-38-24-21(14-34-38)25(32)33-15-22(24)36-26(39)27(40)37(16-19-8-5-4-6-9-19)17-20-10-7-11-23(35-20)28(29,30)31/h4-11,14-15H,12-13,16-18H2,1-3H3,(H2,32,33)(H,36,39)
• InChIKey: LQQNFRPMFQAZMG-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 128.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	599.69
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?

The IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide (CID 169111023) is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide.

What is the SMILES notation for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?

The canonical SMILES for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide is C[Si](C)(C)CCOCn1ncc2c(N)ncc(NC(=O)C(=O)N(Cc3ccccc3)Cc3cccc(C(F)(F)F)n3)c21.

What is the InChIKey of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?

The InChIKey is LQQNFRPMFQAZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N7O3Si/c1-42(2,3)13-12-41-18-38-24-21(14-34-38)25(32)33-15-22(24)36-26(39)27(40)37(16-19-8-5-4-6-9-19)17-20-10-7-11-23(35-20)28(29,30)31/h4-11,14-15H,12-13,16-18H2,1-3H3,(H2,32,33)(H,36,39).

What are the key properties of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide?

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide has a molecular weight of 599.69 g/mol, XLogP of 4.91, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[6-(trifluoromethyl)-2-pyridinyl]methyl]oxamide is sourced from PubChem (CID 169111023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).