2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C26H38BrN5O3Si2 — CID 68887443

IUPAC2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc2nc(-c3nn(COCC[Si](C)(C)C)c4ncc(Br)cc34)n(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C26H38BrN5O3Si2/c1-33-20-8-9-22-23(15-20)31(17-34-10-12-36(2,3)4)26(29-22)24-21-14-19(27)16-28-25(21)32(30-24)18-35-11-13-37(5,6)7/h8-9,14-16H,10-13,17-18H2,1-7H3
InChIKeySMLAZPUZZFRFRZ-UHFFFAOYSA-N
MW604.70 g/mol
LogP6.84
Rot. Bonds12

About 2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 68887443) has the molecular formula C26H38BrN5O3Si2 and a molecular weight of 604.70 g/mol. Its IUPAC name is 2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID68887443
Molecular FormulaC26H38BrN5O3Si2
Molecular Weight604.70 g/mol
Exact Mass603.17
IUPAC Name2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc2nc(-c3nn(COCC[Si](C)(C)C)c4ncc(Br)cc34)n(COCC[Si](C)(C)C)c2c1
InChIInChI=1S/C26H38BrN5O3Si2/c1-33-20-8-9-22-23(15-20)31(17-34-10-12-36(2,3)4)26(29-22)24-21-14-19(27)16-28-25(21)32(30-24)18-35-11-13-37(5,6)7/h8-9,14-16H,10-13,17-18H2,1-7H3
InChIKeySMLAZPUZZFRFRZ-UHFFFAOYSA-N
XLogP6.84
TPSA76.22 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500604.70
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 68887443) is 2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1ccc2nc(-c3nn(COCC[Si](C)(C)C)c4ncc(Br)cc34)n(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of 2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is SMLAZPUZZFRFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38BrN5O3Si2/c1-33-20-8-9-22-23(15-20)31(17-34-10-12-36(2,3)4)26(29-22)24-21-14-19(27)16-28-25(21)32(30-24)18-35-11-13-37(5,6)7/h8-9,14-16H,10-13,17-18H2,1-7H3.
What are the key properties of 2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 604.70 g/mol, XLogP of 6.84, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-bromo-3-[6-methoxy-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 68887443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).