N-(4-amino-1H-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

C50H50F6N14O5Si — CID 174057206

About N-(4-amino-1H-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

N-(4-amino-1H-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 174057206) has the molecular formula C50H50F6N14O5Si and a molecular weight of 1069.12 g/mol. Its IUPAC name is N-(4-amino-1H-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.

Molecular Properties

• Compound Name: N-(4-amino-1H-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: 174057206
• Molecular Formula: C50H50F6N14O5Si
• Molecular Weight: 1069.12 g/mol
• Exact Mass: 1068.38
• IUPAC Name: N-(4-amino-1H-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
• SMILES: C[Si](C)(C)CCOCn1ncc2c(N)ncc(NC(=O)C(=O)N(Cc3ccccc3)Cc3cccc(C(F)(F)F)n3)c21.Nc1ncc(NC(=O)C(=O)N(Cc2ccccc2)Cc2cccc(C(F)(F)F)n2)c2[nH]ncc12
• InChI: InChI=1S/C28H32F3N7O3Si.C22H18F3N7O2/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;23-22(24,25)17-8-4-7-14(29-17)12-32(11-13-5-2-1-3-6-13)21(34)20(33)30-16-10-27-19(26)15-9-28-31-18(15)16/h4-11,14-15H,12-13,16-18H2,1-3H3,(H2,32,33)(H,36,39);1-10H,11-12H2,(H2,26,27)(H,28,31)(H,30,33)
• InChIKey: HVICMHWWMONBEL-UHFFFAOYSA-N
• XLogP: 8.03
• TPSA: 258.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 15
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1069.12
LogP ≤ 5	8.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

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-1H-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?

The IUPAC name of N-(4-amino-1H-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 (CID 174057206) is N-(4-amino-1H-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.

What is the SMILES notation for N-(4-amino-1H-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?

The canonical SMILES for N-(4-amino-1H-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 is C[Si](C)(C)CCOCn1ncc2c(N)ncc(NC(=O)C(=O)N(Cc3ccccc3)Cc3cccc(C(F)(F)F)n3)c21.Nc1ncc(NC(=O)C(=O)N(Cc2ccccc2)Cc2cccc(C(F)(F)F)n2)c2[nH]ncc12.

What is the InChIKey of N-(4-amino-1H-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?

The InChIKey is HVICMHWWMONBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F3N7O3Si.C22H18F3N7O2/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;23-22(24,25)17-8-4-7-14(29-17)12-32(11-13-5-2-1-3-6-13)21(34)20(33)30-16-10-27-19(26)15-9-28-31-18(15)16/h4-11,14-15H,12-13,16-18H2,1-3H3,(H2,32,33)(H,36,39);1-10H,11-12H2,(H2,26,27)(H,28,31)(H,30,33).

What are the key properties of N-(4-amino-1H-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?

N-(4-amino-1H-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 1069.12 g/mol, XLogP of 8.03, 15 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-amino-1H-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 is sourced from PubChem (CID 174057206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).