2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C56H69BrN14O7Si2 — CID 160544629

IUPAC2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(Oc3cccc(C#N)c3)nc12.CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3cccc(C#N)c3)nc12
InChIInChI=1S/C23H29N5O3Si.C17H15N5O2.C16H25BrN4O2Si/c1-16(2)26-23(29)19-14-28(15-30-9-10-32(3,4)5)22-21(19)27-20(13-25-22)31-18-8-6-7-17(11-18)12-24;1-10(2)21-17(23)13-8-19-16-15(13)22-14(9-20-16)24-12-5-3-4-11(6-12)7-18;1-11(2)19-16(22)12-9-21(10-23-6-7-24(3,4)5)15-14(12)20-13(17)8-18-15/h6-8,11,13-14,16H,9-10,15H2,1-5H3,(H,26,29);3-6,8-10H,1-2H3,(H,19,20)(H,21,23);8-9,11H,6-7,10H2,1-5H3,(H,19,22)
InChIKeyQXGKDOBEBAUFHX-UHFFFAOYSA-N
MW1186.33 g/mol
LogP10.95
Rot. Bonds20

About 2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 160544629) has the molecular formula C56H69BrN14O7Si2 and a molecular weight of 1186.33 g/mol. Its IUPAC name is 2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID160544629
Molecular FormulaC56H69BrN14O7Si2
Molecular Weight1186.33 g/mol
Exact Mass1184.42
IUPAC Name2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)NC(=O)c1c[nH]c2ncc(Oc3cccc(C#N)c3)nc12.CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3cccc(C#N)c3)nc12
InChIInChI=1S/C23H29N5O3Si.C17H15N5O2.C16H25BrN4O2Si/c1-16(2)26-23(29)19-14-28(15-30-9-10-32(3,4)5)22-21(19)27-20(13-25-22)31-18-8-6-7-17(11-18)12-24;1-10(2)21-17(23)13-8-19-16-15(13)22-14(9-20-16)24-12-5-3-4-11(6-12)7-18;1-11(2)19-16(22)12-9-21(10-23-6-7-24(3,4)5)15-14(12)20-13(17)8-18-15/h6-8,11,13-14,16H,9-10,15H2,1-5H3,(H,26,29);3-6,8-10H,1-2H3,(H,19,20)(H,21,23);8-9,11H,6-7,10H2,1-5H3,(H,19,22)
InChIKeyQXGKDOBEBAUFHX-UHFFFAOYSA-N
XLogP10.95
TPSA274.79 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds20
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001186.33
LogP ≤ 510.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide with MolForge

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Related Compounds

2-(3-cyanophenoxy)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 58522377
2-(3-methylphenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522381
2-[3-[(E)-2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl]phenoxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71472577
2-(3-cyano-phenoxy)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 58522131
2-(3-cyanophenoxy)-N-ethyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 58522289
2-phenoxy-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid cyclohexylamide
CID 67002498
2-(3-cyanophenoxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67008181
2-(3-cyanophenoxy)-N-propyl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67008244
2-(1H-indol-5-yloxy)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid isopropylamide
CID 67009069
2-(1H-indol-5-yloxy)-N-propyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 67009071
2-phenoxy-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-methyl-1-(pyrrolidine-1-carbonyl)-propyl]-amide
CID 67386157
2-[4-[2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl]phenoxy]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71014343

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 160544629) is 2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)NC(=O)c1c[nH]c2ncc(Oc3cccc(C#N)c3)nc12.CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Oc3cccc(C#N)c3)nc12.
What is the InChIKey of 2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is QXGKDOBEBAUFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3Si.C17H15N5O2.C16H25BrN4O2Si/c1-16(2)26-23(29)19-14-28(15-30-9-10-32(3,4)5)22-21(19)27-20(13-25-22)31-18-8-6-7-17(11-18)12-24;1-10(2)21-17(23)13-8-19-16-15(13)22-14(9-20-16)24-12-5-3-4-11(6-12)7-18;1-11(2)19-16(22)12-9-21(10-23-6-7-24(3,4)5)15-14(12)20-13(17)8-18-15/h6-8,11,13-14,16H,9-10,15H2,1-5H3,(H,26,29);3-6,8-10H,1-2H3,(H,19,20)(H,21,23);8-9,11H,6-7,10H2,1-5H3,(H,19,22).
What are the key properties of 2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 1186.33 g/mol, XLogP of 10.95, 20 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(3-cyanophenoxy)-N-propan-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 160544629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).