2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

C32H43BrN8O2S2Si2 — CID 163875130

IUPAC2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCc1nsc(-c2ccc3c(Br)cn(COCC[Si](C)(C)C)c3n2)n1.Cc1nsc(-c2ccc3ccn(COCC[Si](C)(C)C)c3n2)n1
InChIInChI=1S/C16H21BrN4OSSi.C16H22N4OSSi/c1-11-18-16(23-20-11)14-6-5-12-13(17)9-21(15(12)19-14)10-22-7-8-24(2,3)4;1-12-17-16(22-19-12)14-6-5-13-7-8-20(15(13)18-14)11-21-9-10-23(2,3)4/h5-6,9H,7-8,10H2,1-4H3;5-8H,9-11H2,1-4H3
InChIKeyPOFIVYVLKBLIRU-UHFFFAOYSA-N
MW771.96 g/mol
LogP9.11
Rot. Bonds12

About 2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane

2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 163875130) has the molecular formula C32H43BrN8O2S2Si2 and a molecular weight of 771.96 g/mol. Its IUPAC name is 2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Name2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID163875130
Molecular FormulaC32H43BrN8O2S2Si2
Molecular Weight771.96 g/mol
Exact Mass770.17
IUPAC Name2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCc1nsc(-c2ccc3c(Br)cn(COCC[Si](C)(C)C)c3n2)n1.Cc1nsc(-c2ccc3ccn(COCC[Si](C)(C)C)c3n2)n1
InChIInChI=1S/C16H21BrN4OSSi.C16H22N4OSSi/c1-11-18-16(23-20-11)14-6-5-12-13(17)9-21(15(12)19-14)10-22-7-8-24(2,3)4;1-12-17-16(22-19-12)14-6-5-13-7-8-20(15(13)18-14)11-21-9-10-23(2,3)4/h5-6,9H,7-8,10H2,1-4H3;5-8H,9-11H2,1-4H3
InChIKeyPOFIVYVLKBLIRU-UHFFFAOYSA-N
XLogP9.11
TPSA105.66 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500771.96
LogP ≤ 59.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane with MolForge

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Related Compounds

4-bromo-7H-cyclopenta[b]pyridine;2-[(4-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 157444451
2-[(5-Bromo-3-iodo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 158187879
2-[(5-Bromo-4-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;2-[(5-bromo-4-methylpyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 159266510
Trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 162491498
Trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 162491555
2-[[3-Bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 162491557
2-[[3-Bromo-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(5-methyl-1,3,4-thiadiazol-2-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 163419425
5-Bromo-3-methyl-1,2,4-thiadiazole;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]boronic acid
CID 163547995
4-Chloro-5-methyl-2-methylsulfanylpyrimidine;trimethyl-[2-[[3-(5-methyl-2-methylsulfanylpyrimidin-4-yl)-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane;trimethyl-[2-[[3-methyl-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 163618552
2-[[3-Bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 163619183
5-(3-bromo-1H-pyrrolo[2,3-b]pyridin-6-yl)-3-methyl-1,2,4-thiadiazole;3-methyl-5-(1H-pyrrolo[2,3-b]pyridin-6-yl)-1,2,4-thiadiazole;molecular bromine
CID 163637298
2-[(6-bromopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane;5-methyl-4H-triazole;trimethyl-[2-[[6-(5-methyltetrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 163692789

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of 2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 163875130) is 2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for 2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for 2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is Cc1nsc(-c2ccc3c(Br)cn(COCC[Si](C)(C)C)c3n2)n1.Cc1nsc(-c2ccc3ccn(COCC[Si](C)(C)C)c3n2)n1.
What is the InChIKey of 2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is POFIVYVLKBLIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4OSSi.C16H22N4OSSi/c1-11-18-16(23-20-11)14-6-5-12-13(17)9-21(15(12)19-14)10-22-7-8-24(2,3)4;1-12-17-16(22-19-12)14-6-5-13-7-8-20(15(13)18-14)11-21-9-10-23(2,3)4/h5-6,9H,7-8,10H2,1-4H3;5-8H,9-11H2,1-4H3.
What are the key properties of 2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 771.96 g/mol, XLogP of 9.11, 12 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[6-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 163875130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).