2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C20H26BrN5O2Si — CID 86677968

IUPAC2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)c1ccncc1
InChIInChI=1S/C20H26BrN5O2Si/c1-14(15-5-7-22-8-6-15)24-20(27)16-12-26(13-28-9-10-29(2,3)4)19-18(16)25-17(21)11-23-19/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,24,27)
InChIKeyLKKZQTYEODCPQN-UHFFFAOYSA-N
MW476.45 g/mol
LogP4.39
Rot. Bonds8

About 2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 86677968) has the molecular formula C20H26BrN5O2Si and a molecular weight of 476.45 g/mol. Its IUPAC name is 2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID86677968
Molecular FormulaC20H26BrN5O2Si
Molecular Weight476.45 g/mol
Exact Mass475.10
IUPAC Name2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)c1ccncc1
InChIInChI=1S/C20H26BrN5O2Si/c1-14(15-5-7-22-8-6-15)24-20(27)16-12-26(13-28-9-10-29(2,3)4)19-18(16)25-17(21)11-23-19/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,24,27)
InChIKeyLKKZQTYEODCPQN-UHFFFAOYSA-N
XLogP4.39
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.45
LogP ≤ 54.39
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'}

Analyze 2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(1S)-1-(1,3-oxazol-2-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 89424916
2-bromo-N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 86657869
1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]ethenol
CID 88906942
2-cyclopropyl-N-[(1S)-1-(1H-pyrazol-5-yl)ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67008846
2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;5-chloro-1,3-dimethylindazole;2-(5-chloro-1-methylindazol-3-yl)-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 159532815
(3R)-1-benzylpyrrolidin-3-amine;N-[(3R)-1-benzylpyrrolidin-3-yl]-2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 159331055
1-(2-anilino-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethylpropan-1-one;1-[2-anilino-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 159711522
2-bromo-N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-1-(3-cyanoazetidin-1-yl)-1-oxopropan-2-yl]-2-(6-fluoro-3-methylsulfanylimidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;6-fluoro-1-methyl-3-methylsulfanylimidazo[1,5-a]pyridine
CID 158656869
N-(1-hydroxy-2-methylpropan-2-yl)-2-(pyridin-3-ylamino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 90040937
[2-bromo-7-(tert-butylcarbamoyl)pyrrolo[2,3-b]pyrazin-5-yl]methyl 2,2-dimethylpropanoate
CID 86677996
2-(trifluoromethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 89453202
N-tert-butyl-2-[(1-ethylpyrazol-4-yl)amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 131735557

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 86677968) is 2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12)c1ccncc1.
What is the InChIKey of 2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is LKKZQTYEODCPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN5O2Si/c1-14(15-5-7-22-8-6-15)24-20(27)16-12-26(13-28-9-10-29(2,3)4)19-18(16)25-17(21)11-23-19/h5-8,11-12,14H,9-10,13H2,1-4H3,(H,24,27).
What are the key properties of 2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 476.45 g/mol, XLogP of 4.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-pyridin-4-ylethyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 86677968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).