2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

C34H38FN5O3Si — CID 90391196

About 2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 90391196) has the molecular formula C34H38FN5O3Si and a molecular weight of 611.79 g/mol. Its IUPAC name is 2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 90391196
• Molecular Formula: C34H38FN5O3Si
• Molecular Weight: 611.79 g/mol
• Exact Mass: 611.27
• IUPAC Name: 2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3c(OCc4ccccc4)ccnc3F)ccc21
• InChI: InChI=1S/C34H38FN5O3Si/c1-44(2,3)20-19-42-24-40-29-10-9-26(32-30(12-14-37-34(32)35)43-23-25-7-5-4-6-8-25)21-28(29)33(38-40)27-11-13-36-31(22-27)39-15-17-41-18-16-39/h4-14,21-22H,15-20,23-24H2,1-3H3
• InChIKey: RFLLBIFQJCBPBY-UHFFFAOYSA-N
• XLogP: 7.03
• TPSA: 74.53 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	611.79
LogP ≤ 5	7.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 90391196) is 2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1nc(-c2ccnc(N3CCOCC3)c2)c2cc(-c3c(OCc4ccccc4)ccnc3F)ccc21.

What is the InChIKey of 2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is RFLLBIFQJCBPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38FN5O3Si/c1-44(2,3)20-19-42-24-40-29-10-9-26(32-30(12-14-37-34(32)35)43-23-25-7-5-4-6-8-25)21-28(29)33(38-40)27-11-13-36-31(22-27)39-15-17-41-18-16-39/h4-14,21-22H,15-20,23-24H2,1-3H3.

What are the key properties of 2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 611.79 g/mol, XLogP of 7.03, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-(2-fluoro-4-phenylmethoxy-3-pyridinyl)-3-(2-morpholin-4-yl-4-pyridinyl)indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 90391196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).