2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

C39H52FN5O3Si2 — CID 154689183

About 2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 154689183) has the molecular formula C39H52FN5O3Si2 and a molecular weight of 714.05 g/mol. Its IUPAC name is 2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 154689183
• Molecular Formula: C39H52FN5O3Si2
• Molecular Weight: 714.05 g/mol
• Exact Mass: 713.36
• IUPAC Name: 2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane
• SMILES: CCc1cc(OCc2ccccc2)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CNC4)nn(COCC[Si](C)(C)C)c2c1
• InChI: InChI=1S/C39H52FN5O3Si2/c1-8-29-21-37(48-25-28-12-10-9-11-13-28)33(40)22-32(29)30-14-15-31-35(20-30)45(27-47-17-19-50(5,6)7)43-38(31)39-42-34-23-41-24-36(34)44(39)26-46-16-18-49(2,3)4/h9-15,20-22,41H,8,16-19,23-27H2,1-7H3
• InChIKey: TXPNYJMHQJTYOH-UHFFFAOYSA-N
• XLogP: 9.08
• TPSA: 75.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	714.05
LogP ≤ 5	9.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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 2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane (CID 154689183) is 2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is CCc1cc(OCc2ccccc2)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CNC4)nn(COCC[Si](C)(C)C)c2c1.

What is the InChIKey of 2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is TXPNYJMHQJTYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H52FN5O3Si2/c1-8-29-21-37(48-25-28-12-10-9-11-13-28)33(40)22-32(29)30-14-15-31-35(20-30)45(27-47-17-19-50(5,6)7)43-38(31)39-42-34-23-41-24-36(34)44(39)26-46-16-18-49(2,3)4/h9-15,20-22,41H,8,16-19,23-27H2,1-7H3.

What are the key properties of 2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane?

2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 714.05 g/mol, XLogP of 9.08, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-3-[3-(2-trimethylsilylethoxymethyl)-5,6-dihydro-4H-pyrrolo[3,4-d]imidazol-2-yl]indazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 154689183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).