N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide

C25H32F2N4O2Si — CID 86593373

About N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide

N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide (PubChem CID 86593373) has the molecular formula C25H32F2N4O2Si and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide
• PubChem CID: 86593373
• Molecular Formula: C25H32F2N4O2Si
• Molecular Weight: 486.64 g/mol
• Exact Mass: 486.23
• IUPAC Name: N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide
• SMILES: C[Si](C)(C)CCOCn1nc(NC(=O)N2CCCCC2)c2cc(-c3ccccc3)c(F)c(F)c21
• InChI: InChI=1S/C25H32F2N4O2Si/c1-34(2,3)15-14-33-17-31-23-20(24(29-31)28-25(32)30-12-8-5-9-13-30)16-19(21(26)22(23)27)18-10-6-4-7-11-18/h4,6-7,10-11,16H,5,8-9,12-15,17H2,1-3H3,(H,28,29,32)
• InChIKey: DBQRPLKMEVLZCF-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.64
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

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 N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide?

The IUPAC name of N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide (CID 86593373) is N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide.

What is the SMILES notation for N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide?

The canonical SMILES for N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide is C[Si](C)(C)CCOCn1nc(NC(=O)N2CCCCC2)c2cc(-c3ccccc3)c(F)c(F)c21.

What is the InChIKey of N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide?

The InChIKey is DBQRPLKMEVLZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N4O2Si/c1-34(2,3)15-14-33-17-31-23-20(24(29-31)28-25(32)30-12-8-5-9-13-30)16-19(21(26)22(23)27)18-10-6-4-7-11-18/h4,6-7,10-11,16H,5,8-9,12-15,17H2,1-3H3,(H,28,29,32).

What are the key properties of N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide?

N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide has a molecular weight of 486.64 g/mol, XLogP of 6.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6,7-difluoro-5-phenyl-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 86593373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).