2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C51H69BrN14O6Si2 — CID 159151299

IUPAC2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCCn1cc(-c2cnc3[nH]cc(C(=O)NC4CCCCC4(C)C)c3n2)cn1.CCn1cc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21
InChIInChI=1S/C20H26N6O.C18H25N5O3Si.C13H18BrN3O2Si/c1-4-26-12-13(9-23-26)15-11-22-18-17(24-15)14(10-21-18)19(27)25-16-7-5-6-8-20(16,2)3;1-5-23-10-13(8-20-23)15-9-19-17-16(21-15)14(18(24)25)11-22(17)12-26-6-7-27(2,3)4;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h9-12,16H,4-8H2,1-3H3,(H,21,22)(H,25,27);8-11H,5-7,12H2,1-4H3,(H,24,25);6-8H,4-5,9H2,1-3H3
InChIKeyKJIDATJWYMEESX-UHFFFAOYSA-N
MW1110.28 g/mol
LogP10.18
Rot. Bonds18

About 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid

2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 159151299) has the molecular formula C51H69BrN14O6Si2 and a molecular weight of 1110.28 g/mol. Its IUPAC name is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Name2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID159151299
Molecular FormulaC51H69BrN14O6Si2
Molecular Weight1110.28 g/mol
Exact Mass1108.42
IUPAC Name2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCCn1cc(-c2cnc3[nH]cc(C(=O)NC4CCCCC4(C)C)c3n2)cn1.CCn1cc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21
InChIInChI=1S/C20H26N6O.C18H25N5O3Si.C13H18BrN3O2Si/c1-4-26-12-13(9-23-26)15-11-22-18-17(24-15)14(10-21-18)19(27)25-16-7-5-6-8-20(16,2)3;1-5-23-10-13(8-20-23)15-9-19-17-16(21-15)14(18(24)25)11-22(17)12-26-6-7-27(2,3)4;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h9-12,16H,4-8H2,1-3H3,(H,21,22)(H,25,27);8-11H,5-7,12H2,1-4H3,(H,24,25);6-8H,4-5,9H2,1-3H3
InChIKeyKJIDATJWYMEESX-UHFFFAOYSA-N
XLogP10.18
TPSA240.56 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds18
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001110.28
LogP ≤ 510.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid with MolForge

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Related Compounds

2-bromo-N-[(2S)-3,3-dimethylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2S)-3,3-dimethylbutan-2-yl]-2-(1-methylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 157485863
2-bromo-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(cyclopenten-1-yl)-N-[(2S)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 158124895
2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;N-[(2R)-3,3-dimethyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 158789538
2-(6-fluoro-1-methylindazol-3-yl)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;(2R)-1-pyrazol-1-ylpropan-2-amine
CID 160960333
2-Bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 161057659
2-bromo-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid;2-(1-ethylpyrazol-4-yl)-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 161214883
2-bromo-5H-pyrrolo[2,3-b]pyrazine;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde;2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid;tert-butyl 4-aminopiperidine-1-carboxylate;2-(chloromethoxy)ethyl-trimethylsilane;ethyl 2-bromo-5H-pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate;ethyl 2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylate
CID 162256590

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 159151299) is 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is CCn1cc(-c2cnc3[nH]cc(C(=O)NC4CCCCC4(C)C)c3n2)cn1.CCn1cc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)cn1.C[Si](C)(C)CCOCn1cc(C=O)c2nc(Br)cnc21.
What is the InChIKey of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is KJIDATJWYMEESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O.C18H25N5O3Si.C13H18BrN3O2Si/c1-4-26-12-13(9-23-26)15-11-22-18-17(24-15)14(10-21-18)19(27)25-16-7-5-6-8-20(16,2)3;1-5-23-10-13(8-20-23)15-9-19-17-16(21-15)14(18(24)25)11-22(17)12-26-6-7-27(2,3)4;1-20(2,3)5-4-19-9-17-7-10(8-18)12-13(17)15-6-11(14)16-12/h9-12,16H,4-8H2,1-3H3,(H,21,22)(H,25,27);8-11H,5-7,12H2,1-4H3,(H,24,25);6-8H,4-5,9H2,1-3H3.
What are the key properties of 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 1110.28 g/mol, XLogP of 10.18, 18 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carbaldehyde;N-(2,2-dimethylcyclohexyl)-2-(1-ethylpyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(1-ethylpyrazol-4-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 159151299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).