[4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane

C28H30Br2N4O2Si — CID 10919320

IUPAC[4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane
SMILESCOc1nc(-c2cn([Si](C)(C)C(C)(C)C)c3c(OC)ccc(Br)c23)cnc1-c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C28H30Br2N4O2Si/c1-28(2,3)37(6,7)34-15-19(24-20(30)10-11-23(35-4)26(24)34)22-14-32-25(27(33-22)36-5)18-13-31-21-12-16(29)8-9-17(18)21/h8-15,31H,1-7H3
InChIKeyXRTFTEHAOJKLDS-UHFFFAOYSA-N
MW642.47 g/mol
LogP8.64
Rot. Bonds5

About [4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane

[4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane (PubChem CID 10919320) has the molecular formula C28H30Br2N4O2Si and a molecular weight of 642.47 g/mol. Its IUPAC name is [4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane
PubChem CID10919320
Molecular FormulaC28H30Br2N4O2Si
Molecular Weight642.47 g/mol
Exact Mass640.05
IUPAC Name[4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane
SMILESCOc1nc(-c2cn([Si](C)(C)C(C)(C)C)c3c(OC)ccc(Br)c23)cnc1-c1c[nH]c2cc(Br)ccc12
InChIInChI=1S/C28H30Br2N4O2Si/c1-28(2,3)37(6,7)34-15-19(24-20(30)10-11-23(35-4)26(24)34)22-14-32-25(27(33-22)36-5)18-13-31-21-12-16(29)8-9-17(18)21/h8-15,31H,1-7H3
InChIKeyXRTFTEHAOJKLDS-UHFFFAOYSA-N
XLogP8.64
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500642.47
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane?
The IUPAC name of [4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane (CID 10919320) is [4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane?
The canonical SMILES for [4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane is COc1nc(-c2cn([Si](C)(C)C(C)(C)C)c3c(OC)ccc(Br)c23)cnc1-c1c[nH]c2cc(Br)ccc12.
What is the InChIKey of [4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane?
The InChIKey is XRTFTEHAOJKLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Br2N4O2Si/c1-28(2,3)37(6,7)34-15-19(24-20(30)10-11-23(35-4)26(24)34)22-14-32-25(27(33-22)36-5)18-13-31-21-12-16(29)8-9-17(18)21/h8-15,31H,1-7H3.
What are the key properties of [4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane?
[4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane has a molecular weight of 642.47 g/mol, XLogP of 8.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-[5-(6-bromo-1H-indol-3-yl)-6-methoxypyrazin-2-yl]-7-methoxyindol-1-yl]-tert-butyl-dimethylsilane is sourced from PubChem (CID 10919320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).