[6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane

C21H29BrN4O3Si — CID 140798244

IUPAC[6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCOCCOc1cc(Br)cc2c1cnn2-c1cncc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C21H29BrN4O3Si/c1-21(2,3)30(5,6)29-14-16-11-23-13-20(25-16)26-18-9-15(22)10-19(17(18)12-24-26)28-8-7-27-4/h9-13H,7-8,14H2,1-6H3
InChIKeyALXQWWVSBZGABW-UHFFFAOYSA-N
MW493.48 g/mol
LogP5.12
Rot. Bonds8

About [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane

[6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane (PubChem CID 140798244) has the molecular formula C21H29BrN4O3Si and a molecular weight of 493.48 g/mol. Its IUPAC name is [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane
PubChem CID140798244
Molecular FormulaC21H29BrN4O3Si
Molecular Weight493.48 g/mol
Exact Mass492.12
IUPAC Name[6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane
SMILESCOCCOc1cc(Br)cc2c1cnn2-c1cncc(CO[Si](C)(C)C(C)(C)C)n1
InChIInChI=1S/C21H29BrN4O3Si/c1-21(2,3)30(5,6)29-14-16-11-23-13-20(25-16)26-18-9-15(22)10-19(17(18)12-24-26)28-8-7-27-4/h9-13H,7-8,14H2,1-6H3
InChIKeyALXQWWVSBZGABW-UHFFFAOYSA-N
XLogP5.12
TPSA71.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.48
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazine-2-carboxylate
CID 118663914
1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxypropan-2-one
CID 159928020
[6-(6-bromoindazol-1-yl)pyrazin-2-yl]methanol;[6-(6-bromoindazol-1-yl)pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane
CID 161262421
1-[6-bromo-1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]indazol-4-yl]oxy-2-methylpropan-2-ol;1-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-4-yl]oxy-2-methylpropan-2-ol;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157392172
(R)-N-[(1S)-4-[tert-butyl(dimethyl)silyl]oxy-1-[6-[1-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-6-yl]-2-pyridinyl]butyl]-2-methylpropane-2-sulfinamide
CID 154403006
[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methanol
CID 118664211
2-[[4-bromo-6-(bromomethyl)-3-pyridinyl]oxy]ethoxy-tert-butyl-dimethylsilane
CID 177324563
(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane
CID 11089314
[6-[6-[6-[(1S)-1-aminopropyl]-2-pyridinyl]-4-ethoxyindazol-1-yl]pyrazin-2-yl]methanol
CID 118663987
[6-(6-bromo-4-ethoxyindazol-1-yl)-2-pyridinyl]methanol;6-bromo-4-ethoxy-1H-isoindole;(6-bromo-2-pyridinyl)methanol
CID 159499191
(4-bromofuran-2-yl)methoxy-tert-butyl-dimethylsilane
CID 68521066
[6-(6-bromoindazol-2-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
CID 140798469

Frequently Asked Questions

What is the IUPAC name of [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane (CID 140798244) is [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane is COCCOc1cc(Br)cc2c1cnn2-c1cncc(CO[Si](C)(C)C(C)(C)C)n1.
What is the InChIKey of [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is ALXQWWVSBZGABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29BrN4O3Si/c1-21(2,3)30(5,6)29-14-16-11-23-13-20(25-16)26-18-9-15(22)10-19(17(18)12-24-26)28-8-7-27-4/h9-13H,7-8,14H2,1-6H3.
What are the key properties of [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane?
[6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 493.48 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[6-bromo-4-(2-methoxyethoxy)indazol-1-yl]pyrazin-2-yl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 140798244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).