N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine

C₄₂H₆₃FN₆O₄Si₃ — CID 156776430

About N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine

N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine (PubChem CID 156776430) has the molecular formula C₄₂H₆₃FN₆O₄Si₃ and a molecular weight of 819.26 g/mol. Its IUPAC name is N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine.

Molecular Properties

• Compound Name: N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine
• PubChem CID: 156776430
• Molecular Formula: C₄₂H₆₃FN₆O₄Si₃
• Molecular Weight: 819.26 g/mol
• Exact Mass: 818.42
• IUPAC Name: N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine
• SMILES: CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CNc4ccccn4)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1
• InChI: InChI=1S/C42H63FN6O4Si3/c1-11-32-25-39(53-31-52-20-23-56(8,9)10)37(43)26-36(32)33-15-16-35-38(24-33)49(30-51-19-22-55(5,6)7)47-41(35)42-46-34(27-45-40-14-12-13-17-44-40)28-48(42)29-50-18-21-54(2,3)4/h12-17,24-26,28H,11,18-23,27,29-31H2,1-10H3,(H,44,45)
• InChIKey: IILGQKAEDVLIIZ-UHFFFAOYSA-N
• XLogP: 10.59
• TPSA: 97.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 22
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.26
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine?

The IUPAC name of N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine (CID 156776430) is N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine.

What is the SMILES notation for N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine?

The canonical SMILES for N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc(CNc4ccccn4)cn3COCC[Si](C)(C)C)nn(COCC[Si](C)(C)C)c2c1.

What is the InChIKey of N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine?

The InChIKey is IILGQKAEDVLIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H63FN6O4Si3/c1-11-32-25-39(53-31-52-20-23-56(8,9)10)37(43)26-36(32)33-15-16-35-38(24-33)49(30-51-19-22-55(5,6)7)47-41(35)42-46-34(27-45-40-14-12-13-17-44-40)28-48(42)29-50-18-21-54(2,3)4/h12-17,24-26,28H,11,18-23,27,29-31H2,1-10H3,(H,44,45).

What are the key properties of N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine?

N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine has a molecular weight of 819.26 g/mol, XLogP of 10.59, 22 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-1-(2-trimethylsilylethoxymethyl)imidazol-4-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 156776430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156776430 — identifiers, structure, computed properties (public domain)

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