2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide

C42H57FN6O4Si2 — CID 154689249

About 2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide

2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide (PubChem CID 154689249) has the molecular formula C42H57FN6O4Si2 and a molecular weight of 785.13 g/mol. Its IUPAC name is 2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide
• PubChem CID: 154689249
• Molecular Formula: C42H57FN6O4Si2
• Molecular Weight: 785.13 g/mol
• Exact Mass: 784.40
• IUPAC Name: 2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide
• SMILES: CCc1cc(OCc2ccccc2)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)N(C)C)C4)nn(COCC[Si](C)(C)C)c2c1
• InChI: InChI=1S/C42H57FN6O4Si2/c1-10-31-23-39(53-27-30-14-12-11-13-15-30)35(43)24-34(31)32-16-17-33-37(22-32)49(29-52-19-21-55(7,8)9)45-40(33)41-44-36-25-47(42(50)46(2)3)26-38(36)48(41)28-51-18-20-54(4,5)6/h11-17,22-24H,10,18-21,25-29H2,1-9H3
• InChIKey: YVVSUSJTZBJHQC-UHFFFAOYSA-N
• XLogP: 9.47
• TPSA: 86.88 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.13
LogP ≤ 5	9.47
H-Bond Donors ≤ 5	0
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)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide?

The IUPAC name of 2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide (CID 154689249) is 2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide.

What is the SMILES notation for 2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide?

The canonical SMILES for 2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide is CCc1cc(OCc2ccccc2)c(F)cc1-c1ccc2c(-c3nc4c(n3COCC[Si](C)(C)C)CN(C(=O)N(C)C)C4)nn(COCC[Si](C)(C)C)c2c1.

What is the InChIKey of 2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide?

The InChIKey is YVVSUSJTZBJHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H57FN6O4Si2/c1-10-31-23-39(53-27-30-14-12-11-13-15-30)35(43)24-34(31)32-16-17-33-37(22-32)49(29-52-19-21-55(7,8)9)45-40(33)41-44-36-25-47(42(50)46(2)3)26-38(36)48(41)28-51-18-20-54(4,5)6/h11-17,22-24H,10,18-21,25-29H2,1-9H3.

What are the key properties of 2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide?

2-[6-(2-ethyl-5-fluoro-4-phenylmethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide has a molecular weight of 785.13 g/mol, XLogP of 9.47, 16 rotatable bonds, 0 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)-1-(2-trimethylsilylethoxymethyl)indazol-3-yl]-N,N-dimethyl-3-(2-trimethylsilylethoxymethyl)-4,6-dihydropyrrolo[3,4-d]imidazole-5-carboxamide is sourced from PubChem (CID 154689249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).