7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane

C18H20Br2Cl2N6OSi — CID 157451268

IUPAC7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(Br)c2ncc(Cl)nc21.Clc1cnc2c(Br)c[nH]c2n1
InChIInChI=1S/C12H17BrClN3OSi.C6H3BrClN3/c1-19(2,3)5-4-18-8-17-7-9(13)11-12(17)16-10(14)6-15-11;7-3-1-10-6-5(3)9-2-4(8)11-6/h6-7H,4-5,8H2,1-3H3;1-2H,(H,10,11)
InChIKeyBSVGZPNQTUPOGG-UHFFFAOYSA-N
MW595.20 g/mol
LogP6.53
Rot. Bonds5

About 7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane

7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane (PubChem CID 157451268) has the molecular formula C18H20Br2Cl2N6OSi and a molecular weight of 595.20 g/mol. Its IUPAC name is 7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
PubChem CID157451268
Molecular FormulaC18H20Br2Cl2N6OSi
Molecular Weight595.20 g/mol
Exact Mass591.92
IUPAC Name7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(Br)c2ncc(Cl)nc21.Clc1cnc2c(Br)c[nH]c2n1
InChIInChI=1S/C12H17BrClN3OSi.C6H3BrClN3/c1-19(2,3)5-4-18-8-17-7-9(13)11-12(17)16-10(14)6-15-11;7-3-1-10-6-5(3)9-2-4(8)11-6/h6-7H,4-5,8H2,1-3H3;1-2H,(H,10,11)
InChIKeyBSVGZPNQTUPOGG-UHFFFAOYSA-N
XLogP6.53
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.20
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chloro-7-iodopyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 155673212
2-[[7-bromo-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 157362664
2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 86642309
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-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol
CID 88906942
2-[[2-(6-bromo-5-fluoroimidazo[1,5-a]pyridin-1-yl)-4-chloroimidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 164594211
2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522279
2-[[5-bromo-2-(3,3-dimethylbutyl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl-trimethylsilane
CID 168774100
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
2-[(3-bromo-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-5-yl)methoxy]ethyl-trimethylsilane
CID 141466960
2-[[7-(4-chloro-2-methyl-2H-benzimidazol-5-yl)-3-(4,4-dimethylpiperidin-1-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 158580861
2-bromo-N-(4-methylpiperidin-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71574168

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
The IUPAC name of 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) is 7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
The canonical SMILES for 7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(Br)c2ncc(Cl)nc21.Clc1cnc2c(Br)c[nH]c2n1.
What is the InChIKey of 7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
The InChIKey is BSVGZPNQTUPOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN3OSi.C6H3BrClN3/c1-19(2,3)5-4-18-8-17-7-9(13)11-12(17)16-10(14)6-15-11;7-3-1-10-6-5(3)9-2-4(8)11-6/h6-7H,4-5,8H2,1-3H3;1-2H,(H,10,11).
What are the key properties of 7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane?
7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane has a molecular weight of 595.20 g/mol, XLogP of 6.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-chloro-5H-pyrrolo[2,3-b]pyrazine;2-[(7-bromo-3-chloropyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 157451268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).