3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol

C30H34ClFN6O3Si — CID 164870539

About 3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol

3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol (PubChem CID 164870539) has the molecular formula C30H34ClFN6O3Si and a molecular weight of 609.18 g/mol. Its IUPAC name is 3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

• Compound Name: 3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol
• PubChem CID: 164870539
• Molecular Formula: C30H34ClFN6O3Si
• Molecular Weight: 609.18 g/mol
• Exact Mass: 608.21
• IUPAC Name: 3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol
• SMILES: Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CC(C)(O)C6)c5)nc4c3Cl)c(F)c2n1COCC[Si](C)(C)C
• InChI: InChI=1S/C30H34ClFN6O3Si/c1-18-35-22-7-9-25(27(32)29(22)37(18)17-40-10-11-42(3,4)5)41-24-8-6-21-28(26(24)31)36-23(15-33-21)19-14-34-38(16-19)20-12-30(2,39)13-20/h6-9,14-16,20,39H,10-13,17H2,1-5H3
• InChIKey: OMBXHAJTOJXGAE-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 100.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.18
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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 3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol?

The IUPAC name of 3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol (CID 164870539) is 3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol.

What is the SMILES notation for 3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol?

The canonical SMILES for 3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol is Cc1nc2ccc(Oc3ccc4ncc(-c5cnn(C6CC(C)(O)C6)c5)nc4c3Cl)c(F)c2n1COCC[Si](C)(C)C.

What is the InChIKey of 3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol?

The InChIKey is OMBXHAJTOJXGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClFN6O3Si/c1-18-35-22-7-9-25(27(32)29(22)37(18)17-40-10-11-42(3,4)5)41-24-8-6-21-28(26(24)31)36-23(15-33-21)19-14-34-38(16-19)20-12-30(2,39)13-20/h6-9,14-16,20,39H,10-13,17H2,1-5H3.

What are the key properties of 3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol?

3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol has a molecular weight of 609.18 g/mol, XLogP of 7.13, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[8-chloro-7-[4-fluoro-2-methyl-3-(2-trimethylsilylethoxymethyl)benzimidazol-5-yl]oxyquinoxalin-2-yl]pyrazol-1-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 164870539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).