1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one

C58H75BrN8O7Si2 — CID 123613591

IUPAC1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1=CCc2ncc(Oc3ccccc3)nc21.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(Oc3ccccc3)nc12
InChIInChI=1S/C23H31N3O3Si.C18H18N2O2.C17H26BrN3O2Si/c1-23(2,3)21(27)18-15-26(16-28-12-13-30(4,5)6)22-20(18)25-19(14-24-22)29-17-10-8-7-9-11-17;1-18(2,3)17(21)13-9-10-14-16(13)20-15(11-19-14)22-12-7-5-4-6-8-12;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/h7-11,14-15H,12-13,16H2,1-6H3;4-9,11H,10H2,1-3H3;9-10H,7-8,11H2,1-6H3
InChIKeyHHQLNFXETVVREF-UHFFFAOYSA-N
MW1132.36 g/mol
LogP14.32
Rot. Bonds17

About 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one

1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one (PubChem CID 123613591) has the molecular formula C58H75BrN8O7Si2 and a molecular weight of 1132.36 g/mol. Its IUPAC name is 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
PubChem CID123613591
Molecular FormulaC58H75BrN8O7Si2
Molecular Weight1132.36 g/mol
Exact Mass1130.45
IUPAC Name1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
SMILESCC(C)(C)C(=O)C1=CCc2ncc(Oc3ccccc3)nc21.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(Oc3ccccc3)nc12
InChIInChI=1S/C23H31N3O3Si.C18H18N2O2.C17H26BrN3O2Si/c1-23(2,3)21(27)18-15-26(16-28-12-13-30(4,5)6)22-20(18)25-19(14-24-22)29-17-10-8-7-9-11-17;1-18(2,3)17(21)13-9-10-14-16(13)20-15(11-19-14)22-12-7-5-4-6-8-12;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/h7-11,14-15H,12-13,16H2,1-6H3;4-9,11H,10H2,1-3H3;9-10H,7-8,11H2,1-6H3
InChIKeyHHQLNFXETVVREF-UHFFFAOYSA-N
XLogP14.32
TPSA175.33 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001132.36
LogP ≤ 514.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

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;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one with MolForge

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Related Compounds

(5-Methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 166104442
(5-Methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[2-[[2-(trifluoromethyl)-3-pyridinyl]oxy]-6-azaspiro[3.5]nonan-6-yl]methanone
CID 168209758
(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[7-[[2-(trifluoromethyl)-3-pyridinyl]oxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 168210233
[(7R,8aS)-7-[[2-(trifluoromethyl)-3-pyridinyl]oxy]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)methanone
CID 168210461
(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 172092727
[5-[6-[(2-Methoxy-3-pyridinyl)amino]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 176352928
[5-[6-[(2-Methoxy-3-pyridinyl)-methylamino]-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 176353152
2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-propan-1-one
CID 57831049
1-[2-[3-(2-dimethylamino-ethoxy)-5-(3,3-dimethyl-pyrrolidin-1-yl)-phenyl]-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethyl-propan-1-one
CID 59540969
2-phenoxy-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 86657872
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
[8-Benzyl-2-[(4,5-dimethylfuran-2-yl)methyl]-6-phenylimidazo[1,2-a]pyrazin-3-yl] acetate;[8-benzyl-6-phenyl-2-(pyridin-2-ylmethyl)imidazo[1,2-a]pyrazin-3-yl] acetate
CID 135368446

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;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?
The IUPAC name of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one (CID 123613591) is 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one is CC(C)(C)C(=O)C1=CCc2ncc(Oc3ccccc3)nc21.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(Oc3ccccc3)nc12.
What is the InChIKey of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?
The InChIKey is HHQLNFXETVVREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3Si.C18H18N2O2.C17H26BrN3O2Si/c1-23(2,3)21(27)18-15-26(16-28-12-13-30(4,5)6)22-20(18)25-19(14-24-22)29-17-10-8-7-9-11-17;1-18(2,3)17(21)13-9-10-14-16(13)20-15(11-19-14)22-12-7-5-4-6-8-12;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/h7-11,14-15H,12-13,16H2,1-6H3;4-9,11H,10H2,1-3H3;9-10H,7-8,11H2,1-6H3.
What are the key properties of 1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one?
1-[2-bromo-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one has a molecular weight of 1132.36 g/mol, XLogP of 14.32, 17 rotatable bonds, 0 hydrogen bond donors, and 15 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;2,2-dimethyl-1-(3-phenoxy-7H-cyclopenta[b]pyrazin-5-yl)propan-1-one;2,2-dimethyl-1-[2-phenoxy-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 123613591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).