2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

C21H27ClFN3O3Si — CID 163251302

IUPAC2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCOc1ncc(F)c(OC)c1-c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12
InChIInChI=1S/C21H27ClFN3O3Si/c1-6-29-21-18(19(27-2)16(23)11-24-21)15-12-26(13-28-9-10-30(3,4)5)20-14(15)7-8-17(22)25-20/h7-8,11-12H,6,9-10,13H2,1-5H3
InChIKeyGVYQBFHQVJFELJ-UHFFFAOYSA-N
MW452.00 g/mol
LogP5.61
Rot. Bonds9

About 2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane

2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 163251302) has the molecular formula C21H27ClFN3O3Si and a molecular weight of 452.00 g/mol. Its IUPAC name is 2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID163251302
Molecular FormulaC21H27ClFN3O3Si
Molecular Weight452.00 g/mol
Exact Mass451.15
IUPAC Name2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
SMILESCCOc1ncc(F)c(OC)c1-c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12
InChIInChI=1S/C21H27ClFN3O3Si/c1-6-29-21-18(19(27-2)16(23)11-24-21)15-12-26(13-28-9-10-30(3,4)5)20-14(15)7-8-17(22)25-20/h7-8,11-12H,6,9-10,13H2,1-5H3
InChIKeyGVYQBFHQVJFELJ-UHFFFAOYSA-N
XLogP5.61
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.00
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-fluoro-2-methoxy-4-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 163250787
cis-(1S,2S)-N-[3-(4-ethoxy-5-fluoro-2-methoxy-3-pyridinyl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-yl]-2-fluorocyclopropane-1-carboxamide
CID 163251006
[6-chloro-3-(5-fluoro-2,4-dimethoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl] thiohypofluorite
CID 163251086
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
3-(4,6-dimethoxy-2-methylpyrimidin-5-yl)-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-6-amine
CID 163251023
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
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
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887
2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 155673212
6-chloro-4-ethoxy-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-3-carbonitrile
CID 142436040
2-[[6-chloro-4-(2,4,6-trichlorophenoxy)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane
CID 101395266

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane (CID 163251302) is 2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is CCOc1ncc(F)c(OC)c1-c1cn(COCC[Si](C)(C)C)c2nc(Cl)ccc12.
What is the InChIKey of 2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is GVYQBFHQVJFELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClFN3O3Si/c1-6-29-21-18(19(27-2)16(23)11-24-21)15-12-26(13-28-9-10-30(3,4)5)20-14(15)7-8-17(22)25-20/h7-8,11-12H,6,9-10,13H2,1-5H3.
What are the key properties of 2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane?
2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 452.00 g/mol, XLogP of 5.61, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-3-(2-ethoxy-5-fluoro-4-methoxy-3-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 163251302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).