2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C20H24ClN5O2Si — CID 163251444

IUPAC2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc2nncn2cc1-c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12
InChIInChI=1S/C20H24ClN5O2Si/c1-27-17-9-19-24-22-12-25(19)11-16(17)15-10-26(13-28-7-8-29(2,3)4)20-14(15)5-6-18(21)23-20/h5-6,9-12H,7-8,13H2,1-4H3
InChIKeyWXCLGROSEXIDAS-UHFFFAOYSA-N
MW429.98 g/mol
LogP4.72
Rot. Bonds7

About 2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 163251444) has the molecular formula C20H24ClN5O2Si and a molecular weight of 429.98 g/mol. Its IUPAC name is 2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID163251444
Molecular FormulaC20H24ClN5O2Si
Molecular Weight429.98 g/mol
Exact Mass429.14
IUPAC Name2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1cc2nncn2cc1-c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12
InChIInChI=1S/C20H24ClN5O2Si/c1-27-17-9-19-24-22-12-25(19)11-16(17)15-10-26(13-28-7-8-29(2,3)4)20-14(15)5-6-18(21)23-20/h5-6,9-12H,7-8,13H2,1-4H3
InChIKeyWXCLGROSEXIDAS-UHFFFAOYSA-N
XLogP4.72
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.98
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

2-[[6-chloro-3-[5-methoxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[4,5-b]pyridin-6-yl]pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163250691
2-[[6-chloro-3-(5-fluoro-2-methoxy-4-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163250787
3-(6-methoxy-1,3-benzothiazol-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine
CID 163251080
2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163251302
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
6-chloro-N-propan-2-yl-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carboxamide
CID 141450366
3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine
CID 163251023
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887
tert-butyl N-[3-(5-methoxy-1,3-benzothiazol-6-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]carbamate
CID 163251197
2-[(3-chloro-5-iodopyrrolo[2,3-c]pyridazin-7-yl)methoxy]ethyl-trimethylsilane
CID 170546086
2-[[6-chloro-3-[2-(trideuteriomethoxy)phenyl]pyrazolo[5,4-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163251763
2-[(6-chloro-3-iodo-4-methoxypyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 151001898

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 163251444) is 2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is COc1cc2nncn2cc1-c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12.
What is the InChIKey of 2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is WXCLGROSEXIDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O2Si/c1-27-17-9-19-24-22-12-25(19)11-16(17)15-10-26(13-28-7-8-29(2,3)4)20-14(15)5-6-18(21)23-20/h5-6,9-12H,7-8,13H2,1-4H3.
What are the key properties of 2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 429.98 g/mol, XLogP of 4.72, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-3-(7-methoxy-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 163251444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).