2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane

C43H68FN5O6SSi3 — CID 156785923

About 2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane

2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane (PubChem CID 156785923) has the molecular formula C43H68FN5O6SSi3 and a molecular weight of 886.37 g/mol. Its IUPAC name is 2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

• Compound Name: 2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane
• PubChem CID: 156785923
• Molecular Formula: C43H68FN5O6SSi3
• Molecular Weight: 886.37 g/mol
• Exact Mass: 885.42
• IUPAC Name: 2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane
• SMILES: CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(S(=O)(=O)C3CCCC3)C4)nn(COCC[Si](C)(C)C)c2c1
• InChI: InChI=1S/C43H68FN5O6SSi3/c1-11-32-25-41(55-31-54-20-23-59(8,9)10)37(44)26-36(32)33-16-17-35-39(24-33)49(30-53-19-22-58(5,6)7)46-42(35)43-45-38-27-47(56(50,51)34-14-12-13-15-34)28-40(38)48(43)29-52-18-21-57(2,3)4/h16-17,24-26,34H,11-15,18-23,27-31H2,1-10H3
• InChIKey: YUAFHOWMPCFTBR-UHFFFAOYSA-N
• XLogP: 10.17
• TPSA: 109.94 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 21
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.37
LogP ≤ 5	10.17
H-Bond Donors ≤ 5	0
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 2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane?

The IUPAC name of 2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane (CID 156785923) is 2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane.

What is the SMILES notation for 2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane?

The canonical SMILES for 2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane is CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(S(=O)(=O)C3CCCC3)C4)nn(COCC[Si](C)(C)C)c2c1.

What is the InChIKey of 2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane?

The InChIKey is YUAFHOWMPCFTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H68FN5O6SSi3/c1-11-32-25-41(55-31-54-20-23-59(8,9)10)37(44)26-36(32)33-16-17-35-39(24-33)49(30-53-19-22-58(5,6)7)46-42(35)43-45-38-27-47(56(50,51)34-14-12-13-15-34)28-40(38)48(43)29-52-18-21-57(2,3)4/h16-17,24-26,34H,11-15,18-23,27-31H2,1-10H3.

What are the key properties of 2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane?

2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 886.37 g/mol, XLogP of 10.17, 21 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-cyclopentylsulfonyl-2-[6-[2-ethyl-5-fluoro-4-(2-trimethylsilylethoxymethoxy)phenyl]-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-4,6-dihydropyrrolo[3,4-d]imidazol-3-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 156785923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).