2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide

C25H35F7N8O4Si — CID 174218086

About 2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide

2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide (PubChem CID 174218086) has the molecular formula C25H35F7N8O4Si and a molecular weight of 672.68 g/mol. Its IUPAC name is 2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide.

Molecular Properties

• Compound Name: 2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
• PubChem CID: 174218086
• Molecular Formula: C25H35F7N8O4Si
• Molecular Weight: 672.68 g/mol
• Exact Mass: 672.24
• IUPAC Name: 2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide
• SMILES: CC(CONC(=O)C(F)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)Nc1cnn(COCC[Si](C)(C)C)c(=O)c1C(F)(F)F
• InChI: InChI=1S/C25H35F7N8O4Si/c1-16(36-18-13-35-40(15-43-9-10-45(2,3)4)22(42)19(18)25(30,31)32)14-44-37-21(41)20(26)38-5-7-39(8-6-38)23-33-11-17(12-34-23)24(27,28)29/h11-13,16,20,36H,5-10,14-15H2,1-4H3,(H,37,41)
• InChIKey: HEYKLDCMAQGKML-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 126.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.68
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?

The IUPAC name of 2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide (CID 174218086) is 2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide.

What is the SMILES notation for 2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?

The canonical SMILES for 2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide is CC(CONC(=O)C(F)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)Nc1cnn(COCC[Si](C)(C)C)c(=O)c1C(F)(F)F.

What is the InChIKey of 2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?

The InChIKey is HEYKLDCMAQGKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35F7N8O4Si/c1-16(36-18-13-35-40(15-43-9-10-45(2,3)4)22(42)19(18)25(30,31)32)14-44-37-21(41)20(26)38-5-7-39(8-6-38)23-33-11-17(12-34-23)24(27,28)29/h11-13,16,20,36H,5-10,14-15H2,1-4H3,(H,37,41).

What are the key properties of 2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide?

2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide has a molecular weight of 672.68 g/mol, XLogP of 3.35, 13 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-N-[2-[[6-oxo-5-(trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyridazin-4-yl]amino]propoxy]-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]acetamide is sourced from PubChem (CID 174218086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).