2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

C23H30BrN3O3Si — CID 58382168

IUPAC2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(Br)nc12
InChIInChI=1S/C23H30BrN3O3Si/c1-16-20-22(25-14-19(24)26-20)27(15-28-12-13-31(3,4)5)21(16)17-6-8-18(9-7-17)23(2)29-10-11-30-23/h6-9,14H,10-13,15H2,1-5H3
InChIKeyYQOCTCJBCZTUNH-UHFFFAOYSA-N
MW504.50 g/mol
LogP5.70
Rot. Bonds7

About 2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 58382168) has the molecular formula C23H30BrN3O3Si and a molecular weight of 504.50 g/mol. Its IUPAC name is 2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID58382168
Molecular FormulaC23H30BrN3O3Si
Molecular Weight504.50 g/mol
Exact Mass503.12
IUPAC Name2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESCc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(Br)nc12
InChIInChI=1S/C23H30BrN3O3Si/c1-16-20-22(25-14-19(24)26-20)27(15-28-12-13-31(3,4)5)21(16)17-6-8-18(9-7-17)23(2)29-10-11-30-23/h6-9,14H,10-13,15H2,1-5H3
InChIKeyYQOCTCJBCZTUNH-UHFFFAOYSA-N
XLogP5.70
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.50
LogP ≤ 55.70
H-Bond Donors ≤ 50
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-[[2-bromo-7-iodo-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 58382134
2-[[2-bromo-7-ethyl-3-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 58382359
tert-butyl 2-[7-ethyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]acetate
CID 58382386
2-[[3-ethyl-12-methyl-4-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-5,7,11-triaza-1-azoniatricyclo[7.3.0.02,6]dodeca-1,3,6,8,10-pentaen-5-yl]methoxy]ethyl-trimethylsilane
CID 58381997
2-[(2-bromo-7-methylpyrrolo[2,3-b]pyrazin-5-yl)methoxy]ethyl-trimethylsilane
CID 86642309
2-[(5-bromoimidazo[4,5-b]pyrazin-3-yl)methoxy]ethyl-trimethylsilane
CID 131742099
2-[(5-bromo-2-methylimidazol-1-yl)methoxy]ethyl-trimethylsilane
CID 125480758
2-[[2-bromo-7-(2-tert-butyl-1,3-dioxol-2-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
CID 141242228
1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol
CID 88906942
2-bromo-N-(4-methylpiperidin-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71574168
2-[[2-(6-bromo-3-pyridinyl)-5-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 125498321
tert-butyl 3-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-6-yl]benzoate
CID 58382442

Frequently Asked Questions

What is the IUPAC name of 2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (CID 58382168) is 2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is Cc1c(-c2ccc(C3(C)OCCO3)cc2)n(COCC[Si](C)(C)C)c2ncc(Br)nc12.
What is the InChIKey of 2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is YQOCTCJBCZTUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30BrN3O3Si/c1-16-20-22(25-14-19(24)26-20)27(15-28-12-13-31(3,4)5)21(16)17-6-8-18(9-7-17)23(2)29-10-11-30-23/h6-9,14H,10-13,15H2,1-5H3.
What are the key properties of 2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 504.50 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-bromo-7-methyl-6-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 58382168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).