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

C31H45BrN12O2Si2 — CID 163744939

IUPAC2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCc1cn(COCC[Si](C)(C)C)c2nc(-c3nnnn3C)ccc12.Cn1nnnc1-c1ccc2c(Br)cn(COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C16H24N6OSi.C15H21BrN6OSi/c1-12-10-22(11-23-8-9-24(3,4)5)15-13(12)6-7-14(17-15)16-18-19-20-21(16)2;1-21-15(18-19-20-21)13-6-5-11-12(16)9-22(14(11)17-13)10-23-7-8-24(2,3)4/h6-7,10H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3
InChIKeyLKZZNPKALJFWJJ-UHFFFAOYSA-N
MW753.86 g/mol
LogP6.15
Rot. Bonds12

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

2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (PubChem CID 163744939) has the molecular formula C31H45BrN12O2Si2 and a molecular weight of 753.86 g/mol. Its IUPAC name is 2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Name2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
PubChem CID163744939
Molecular FormulaC31H45BrN12O2Si2
Molecular Weight753.86 g/mol
Exact Mass752.25
IUPAC Name2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
SMILESCc1cn(COCC[Si](C)(C)C)c2nc(-c3nnnn3C)ccc12.Cn1nnnc1-c1ccc2c(Br)cn(COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C16H24N6OSi.C15H21BrN6OSi/c1-12-10-22(11-23-8-9-24(3,4)5)15-13(12)6-7-14(17-15)16-18-19-20-21(16)2;1-21-15(18-19-20-21)13-6-5-11-12(16)9-22(14(11)17-13)10-23-7-8-24(2,3)4/h6-7,10H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3
InChIKeyLKZZNPKALJFWJJ-UHFFFAOYSA-N
XLogP6.15
TPSA141.30 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms48
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500753.86
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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

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Related Compounds

(3S)-3-[(3S)-1-(6-bromo-3-fluoro-2-pyridinyl)pyrrolidin-3-yl]-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
CID 87167694
Tert-butyl 4-[3-bromo-2-[1-(difluoromethyl)pyrazol-4-yl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-yl]piperazine-1-carboxylate
CID 155627912
2-[[5-Bromo-6-[2-(3,5-difluorophenyl)-1-(1,3-dihydroisoindol-2-yl)ethyl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 172797509
3-(5-bromopyridin-3-yl)-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
CID 57477881
4-{1-[1-(3-bromophenyl)but-3-en-1-yl]-1H-pyrazol-4-yl}-7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 57480688
rac-tert-butyl (3R,4R)-4-methyl-3-[8-bromo-6-{[2-(trimethylsilyl)ethoxy]methyl}dipyrrolo[2,3-b:2',3'-d]pyridin-1(6H)-yl]piperidine-1-carboxylate
CID 58078503
5-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-9-(2-trimethylsilanyl-ethoxymethyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole-6-carbonitrile
CID 58266535
6-Bromo-9-((2-(trimethylsilyl)ethoxy)methyl)-9H-dipyrido[2,3-b;4',3'-d]pyrrole
CID 58364943
4-[5-Bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 58395944
5-[3-bromo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridin-2-amine
CID 58758514
tert-butyl rac-(3R,4R)-3-[8-bromo-6-{[2-(trimethylsily)ethoxy]methyl}dipyrrolo[2,3-b:2',3'-d]pyridin-1(6H)-yl]-4-methylpiperidine-1-carboxylate
CID 66726478
Tert-butyl 3-[7-[bis(2-trimethylsilylethoxymethyl)amino]-6-bromo-3-[6-(1-methylpyrazol-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 67294474

Frequently Asked Questions

What is the IUPAC name of 2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The IUPAC name of 2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane (CID 163744939) is 2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for 2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The canonical SMILES for 2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is Cc1cn(COCC[Si](C)(C)C)c2nc(-c3nnnn3C)ccc12.Cn1nnnc1-c1ccc2c(Br)cn(COCC[Si](C)(C)C)c2n1.
What is the InChIKey of 2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
The InChIKey is LKZZNPKALJFWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OSi.C15H21BrN6OSi/c1-12-10-22(11-23-8-9-24(3,4)5)15-13(12)6-7-14(17-15)16-18-19-20-21(16)2;1-21-15(18-19-20-21)13-6-5-11-12(16)9-22(14(11)17-13)10-23-7-8-24(2,3)4/h6-7,10H,8-9,11H2,1-5H3;5-6,9H,7-8,10H2,1-4H3.
What are the key properties of 2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane?
2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane has a molecular weight of 753.86 g/mol, XLogP of 6.15, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-bromo-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane;trimethyl-[2-[[3-methyl-6-(1-methyltetrazol-5-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 163744939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).