N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper

C28H32CuF3N7O3Si — CID 174057068

About N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper (PubChem CID 174057068) has the molecular formula C28H32CuF3N7O3Si and a molecular weight of 663.24 g/mol. Its IUPAC name is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper.

Molecular Properties

• Compound Name: N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper
• PubChem CID: 174057068
• Molecular Formula: C28H32CuF3N7O3Si
• Molecular Weight: 663.24 g/mol
• Exact Mass: 662.16
• IUPAC Name: N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper
• SMILES: C[Si](C)(C)CCOCn1ncc2c(N)ncc(NC(=O)C(=O)N(Cc3ccccc3)Cc3ncccc3C(F)(F)F)c21.[Cu]
• InChI: InChI=1S/C28H32F3N7O3Si.Cu/c1-42(2,3)13-12-41-18-38-24-20(14-35-38)25(32)34-15-22(24)36-26(39)27(40)37(16-19-8-5-4-6-9-19)17-23-21(28(29,30)31)10-7-11-33-23;/h4-11,14-15H,12-13,16-18H2,1-3H3,(H2,32,34)(H,36,39)
• InChIKey: JCZUXGBFPBBCBH-UHFFFAOYSA-N
• XLogP: 4.90
• TPSA: 128.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	663.24
LogP ≤ 5	4.90
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'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper?

The IUPAC name of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper (CID 174057068) is N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper.

What is the SMILES notation for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper?

The canonical SMILES for N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper is C[Si](C)(C)CCOCn1ncc2c(N)ncc(NC(=O)C(=O)N(Cc3ccccc3)Cc3ncccc3C(F)(F)F)c21.[Cu].

What is the InChIKey of N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper?

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

N-[4-amino-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-c]pyridin-7-yl]-N'-benzyl-N'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper has a molecular weight of 663.24 g/mol, XLogP of 4.90, 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'-[[3-(trifluoromethyl)-2-pyridinyl]methyl]oxamide;copper is sourced from PubChem (CID 174057068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).