1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide

C57H76BrN11O9S2Si2 — CID 158231536

IUPAC1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(NS(=O)(=O)c3ccccc3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(NS(=O)(=O)c3ccccc3)nc12
InChIInChI=1S/C23H32N4O4SSi.C17H26BrN3O2Si.C17H18N4O3S/c1-23(2,3)21(28)18-15-27(16-31-12-13-33(4,5)6)22-20(18)25-19(14-24-22)26-32(29,30)17-10-8-7-9-11-17;1-17(2,3)15(22)12-10-21(11-23-7-8-24(4,5)6)16-14(12)20-13(18)9-19-16;1-17(2,3)15(22)12-9-18-16-14(12)20-13(10-19-16)21-25(23,24)11-7-5-4-6-8-11/h7-11,14-15H,12-13,16H2,1-6H3,(H,25,26);9-10H,7-8,11H2,1-6H3;4-10H,1-3H3,(H,18,19)(H,20,21)
InChIKeyGELANHPTTISYHR-UHFFFAOYSA-N
MW1259.51 g/mol
LogP12.50
Rot. Bonds19

About 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide

1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide (PubChem CID 158231536) has the molecular formula C57H76BrN11O9S2Si2 and a molecular weight of 1259.51 g/mol. Its IUPAC name is 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide
PubChem CID158231536
Molecular FormulaC57H76BrN11O9S2Si2
Molecular Weight1259.51 g/mol
Exact Mass1257.40
IUPAC Name1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(NS(=O)(=O)c3ccccc3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(NS(=O)(=O)c3ccccc3)nc12
InChIInChI=1S/C23H32N4O4SSi.C17H26BrN3O2Si.C17H18N4O3S/c1-23(2,3)21(28)18-15-27(16-31-12-13-33(4,5)6)22-20(18)25-19(14-24-22)26-32(29,30)17-10-8-7-9-11-17;1-17(2,3)15(22)12-10-21(11-23-7-8-24(4,5)6)16-14(12)20-13(18)9-19-16;1-17(2,3)15(22)12-9-18-16-14(12)20-13(10-19-16)21-25(23,24)11-7-5-4-6-8-11/h7-11,14-15H,12-13,16H2,1-6H3,(H,25,26);9-10H,7-8,11H2,1-6H3;4-10H,1-3H3,(H,18,19)(H,20,21)
InChIKeyGELANHPTTISYHR-UHFFFAOYSA-N
XLogP12.50
TPSA265.00 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds19
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001259.51
LogP ≤ 512.50
H-Bond Donors ≤ 53
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 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide with MolForge

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Related Compounds

2,2-Dimethyl-1-[2-[1-(4-methylphenyl)sulfonylindol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 57829685
N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]-N-methylbenzenesulfonamide
CID 57831040
N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide
CID 57831050
N-[3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-2,2-dimethyl-3-oxopropyl]-N-prop-2-enylbenzenesulfonamide
CID 59540618
3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide
CID 67370450
3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-N-methylbenzenesulfonamide
CID 67374080
1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-[3-(N-methylanilino)-7H-cyclopenta[b]pyrazin-5-yl]propan-1-one;2,2-dimethyl-1-[2-(N-methylanilino)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 123657497
2-bromo-N-tert-butyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide;N-tert-butyl-5-(2-trimethylsilylethoxymethyl)-2-[1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-c]pyridin-7-yl]pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 157095491
4-amino-N-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]benzenesulfonamide;N-[4-[[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]sulfamoyl]phenyl]acetamide
CID 157331108
2,2-dimethyl-1-(2-pyridin-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl)propan-1-one;2,2-dimethyl-1-[2-pyridin-2-yl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 158009960
1-[2-(benzhydrylideneamino)-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;1-cyclohexyl-3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]urea
CID 158220420
CID 158308219
CID 158308219

Frequently Asked Questions

What is the IUPAC name of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide?
The IUPAC name of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide (CID 158231536) is 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide.
What is the SMILES notation for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide?
The canonical SMILES for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide is CC(C)(C)C(=O)c1c[nH]c2ncc(NS(=O)(=O)c3ccccc3)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(NS(=O)(=O)c3ccccc3)nc12.
What is the InChIKey of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide?
The InChIKey is GELANHPTTISYHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O4SSi.C17H26BrN3O2Si.C17H18N4O3S/c1-23(2,3)21(28)18-15-27(16-31-12-13-33(4,5)6)22-20(18)25-19(14-24-22)26-32(29,30)17-10-8-7-9-11-17;1-17(2,3)15(22)12-10-21(11-23-7-8-24(4,5)6)16-14(12)20-13(18)9-19-16;1-17(2,3)15(22)12-9-18-16-14(12)20-13(10-19-16)21-25(23,24)11-7-5-4-6-8-11/h7-11,14-15H,12-13,16H2,1-6H3,(H,25,26);9-10H,7-8,11H2,1-6H3;4-10H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide?
1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide has a molecular weight of 1259.51 g/mol, XLogP of 12.50, 19 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;N-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide;N-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]benzenesulfonamide is sourced from PubChem (CID 158231536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).