[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane

C40H49BrF2N4O2Si2 — CID 159503058

About [3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane

[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane (PubChem CID 159503058) has the molecular formula C40H49BrF2N4O2Si2 and a molecular weight of 791.93 g/mol. Its IUPAC name is [3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane.

Molecular Properties

• Compound Name: [3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane
• PubChem CID: 159503058
• Molecular Formula: C40H49BrF2N4O2Si2
• Molecular Weight: 791.93 g/mol
• Exact Mass: 790.25
• IUPAC Name: [3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane
• SMILES: C.CC(C)(C)[Si](C)(C)n1cc(Br)c2cc(-c3cccc(F)c3)cnc21.CC(C)(C)[Si](C)(C)n1cc(C(=O)O)c2cc(-c3cccc(F)c3)cnc21
• InChI: InChI=1S/C20H23FN2O2Si.C19H22BrFN2Si.CH4/c1-20(2,3)26(4,5)23-12-17(19(24)25)16-10-14(11-22-18(16)23)13-7-6-8-15(21)9-13;1-19(2,3)24(4,5)23-12-17(20)16-10-14(11-22-18(16)23)13-7-6-8-15(21)9-13;/h6-12H,1-5H3,(H,24,25);6-12H,1-5H3;1H4
• InChIKey: LZQDEBJUIDITQV-UHFFFAOYSA-N
• XLogP: 12.49
• TPSA: 72.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	791.93
LogP ≤ 5	12.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane?

The IUPAC name of [3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane (CID 159503058) is [3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane.

What is the SMILES notation for [3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane?

The canonical SMILES for [3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane is C.CC(C)(C)[Si](C)(C)n1cc(Br)c2cc(-c3cccc(F)c3)cnc21.CC(C)(C)[Si](C)(C)n1cc(C(=O)O)c2cc(-c3cccc(F)c3)cnc21.

What is the InChIKey of [3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane?

The InChIKey is LZQDEBJUIDITQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2Si.C19H22BrFN2Si.CH4/c1-20(2,3)26(4,5)23-12-17(19(24)25)16-10-14(11-22-18(16)23)13-7-6-8-15(21)9-13;1-19(2,3)24(4,5)23-12-17(20)16-10-14(11-22-18(16)23)13-7-6-8-15(21)9-13;/h6-12H,1-5H3,(H,24,25);6-12H,1-5H3;1H4.

What are the key properties of [3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane?

[3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane has a molecular weight of 791.93 g/mol, XLogP of 12.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-bromo-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridin-1-yl]-tert-butyl-dimethylsilane;1-[tert-butyl(dimethyl)silyl]-5-(3-fluorophenyl)pyrrolo[2,3-b]pyridine-3-carboxylic acid;methane is sourced from PubChem (CID 159503058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).