2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane

C12H17ClIN3OSi — CID 155673212

IUPAC2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(I)c2ncc(Cl)nc21
InChIInChI=1S/C12H17ClIN3OSi/c1-19(2,3)5-4-18-8-17-7-9(14)11-12(17)16-10(13)6-15-11/h6-7H,4-5,8H2,1-3H3
InChIKeyALFVEGYHXNPWEK-UHFFFAOYSA-N
MW409.73 g/mol
LogP4.00
Rot. Bonds5

About 2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane

2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane (PubChem CID 155673212) has the molecular formula C12H17ClIN3OSi and a molecular weight of 409.73 g/mol. Its IUPAC name is 2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
PubChem CID155673212
Molecular FormulaC12H17ClIN3OSi
Molecular Weight409.73 g/mol
Exact Mass408.99
IUPAC Name2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(I)c2ncc(Cl)nc21
InChIInChI=1S/C12H17ClIN3OSi/c1-19(2,3)5-4-18-8-17-7-9(14)11-12(17)16-10(13)6-15-11/h6-7H,4-5,8H2,1-3H3
InChIKeyALFVEGYHXNPWEK-UHFFFAOYSA-N
XLogP4.00
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.73
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-chloro-7-(4-chloro-2-methylindazol-5-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane;2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 167589284
1-[3-chloro-7-iodo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]ethanone
CID 157393930
7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 157451268
2-[(2,4-dichloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86679621
2-[(3-chloro-5-iodopyrrolo[2,3-c]pyridazin-7-yl)methoxy]ethyl-trimethylsilane
CID 170546086
2-[(4-chloro-5-iodo-2-methylpyrrolo[2,3-d]pyrimidin-7-yl)methoxy]ethyl-trimethylsilane
CID 86706959
2-[(5-bromo-3-iodopyrrolo[2,3-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 59297026
methyl 3-amino-7-iodo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-2-carboxylate
CID 142755280
2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 86642309
2-[(2-butyl-4-chloro-7-iodopyrrolo[3,2-d]pyrimidin-5-yl)methoxy]ethyl-trimethylsilane
CID 140692585
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
N-ethyl-3-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-4-amine
CID 58395851

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane (CID 155673212) is 2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(I)c2ncc(Cl)nc21.
What is the InChIKey of 2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is ALFVEGYHXNPWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClIN3OSi/c1-19(2,3)5-4-18-8-17-7-9(14)11-12(17)16-10(13)6-15-11/h6-7H,4-5,8H2,1-3H3.
What are the key properties of 2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 409.73 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 155673212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).