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

C31H46BrN11O2Si2 — CID 163692789

IUPAC2-[(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
SMILESCC1=NN=NC1.C[Si](C)(C)CCOCn1ccc2ccc(Br)nc21.Cc1nnnn1-c1ccc2ccn(COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C15H22N6OSi.C13H19BrN2OSi.C3H5N3/c1-12-17-18-19-21(12)14-6-5-13-7-8-20(15(13)16-14)11-22-9-10-23(2,3)4;1-18(2,3)9-8-17-10-16-7-6-11-4-5-12(14)15-13(11)16;1-3-2-4-6-5-3/h5-8H,9-11H2,1-4H3;4-7H,8-10H2,1-3H3;2H2,1H3
InChIKeyJUJHQUGTSGNGAP-UHFFFAOYSA-N
MW740.86 g/mol
LogP7.57
Rot. Bonds11

About 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

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 (PubChem CID 163692789) has the molecular formula C31H46BrN11O2Si2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID163692789
Molecular FormulaC31H46BrN11O2Si2
Molecular Weight740.86 g/mol
Exact Mass739.26
IUPAC Name2-[(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
SMILESCC1=NN=NC1.C[Si](C)(C)CCOCn1ccc2ccc(Br)nc21.Cc1nnnn1-c1ccc2ccn(COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C15H22N6OSi.C13H19BrN2OSi.C3H5N3/c1-12-17-18-19-21(12)14-6-5-13-7-8-20(15(13)16-14)11-22-9-10-23(2,3)4;1-18(2,3)9-8-17-10-16-7-6-11-4-5-12(14)15-13(11)16;1-3-2-4-6-5-3/h5-8H,9-11H2,1-4H3;4-7H,8-10H2,1-3H3;2H2,1H3
InChIKeyJUJHQUGTSGNGAP-UHFFFAOYSA-N
XLogP7.57
TPSA134.78 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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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
Trimethyl-[2-[[4-[1-(4-pyrazol-1-ylbutan-2-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl]silane
CID 57477567
4-(4-bromo-1H-pyrazol-1-yl)-1-[2-(trimethylsilyl)ethoxy]methyl-1H-pyrrolo[2,3-b]pyridine
CID 57477673
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
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
2-[[4-(4-Bromo-3-methylpyrazol-1-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 66597689
4-[(3S)-3-[(1S)-2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 66820840
4-[3-[(1S)-2-cyano-1-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]ethyl]pyrrolidin-1-yl]pyrimidine-5-carbonitrile
CID 68771695
2-[[5-Bromo-3-[5-(4-methylpiperazin-1-yl)-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 68887572

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=NN=NC1.C[Si](C)(C)CCOCn1ccc2ccc(Br)nc21.Cc1nnnn1-c1ccc2ccn(COCC[Si](C)(C)C)c2n1.
What is the InChIKey of 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?
The InChIKey is JUJHQUGTSGNGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6OSi.C13H19BrN2OSi.C3H5N3/c1-12-17-18-19-21(12)14-6-5-13-7-8-20(15(13)16-14)11-22-9-10-23(2,3)4;1-18(2,3)9-8-17-10-16-7-6-11-4-5-12(14)15-13(11)16;1-3-2-4-6-5-3/h5-8H,9-11H2,1-4H3;4-7H,8-10H2,1-3H3;2H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 740.86 g/mol, XLogP of 7.57, 11 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163692789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).