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

C60H81BrN10O5Si2 — CID 123657497

IUPAC1-[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
SMILESCC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CN(c1ccccc1)c1cnc2c(n1)C(C(=O)C(C)(C)C)=CC2.CN(c1ccccc1)c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2COCC[Si](C)(C)C
InChIInChI=1S/C24H34N4O2Si.C19H21N3O.C17H26BrN3O2Si/c1-24(2,3)22(29)19-16-28(17-30-13-14-31(5,6)7)23-21(19)26-20(15-25-23)27(4)18-11-9-8-10-12-18;1-19(2,3)18(23)14-10-11-15-17(14)21-16(12-20-15)22(4)13-8-6-5-7-9-13;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/h8-12,15-16H,13-14,17H2,1-7H3;5-10,12H,11H2,1-4H3;9-10H,7-8,11H2,1-6H3
InChIKeyURIREAYNRWJPAV-UHFFFAOYSA-N
MW1158.45 g/mol
LogP14.27
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-(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

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 (PubChem CID 123657497) has the molecular formula C60H81BrN10O5Si2 and a molecular weight of 1158.45 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-(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.

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-(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
PubChem CID123657497
Molecular FormulaC60H81BrN10O5Si2
Molecular Weight1158.45 g/mol
Exact Mass1156.51
IUPAC Name1-[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
SMILESCC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CN(c1ccccc1)c1cnc2c(n1)C(C(=O)C(C)(C)C)=CC2.CN(c1ccccc1)c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2COCC[Si](C)(C)C
InChIInChI=1S/C24H34N4O2Si.C19H21N3O.C17H26BrN3O2Si/c1-24(2,3)22(29)19-16-28(17-30-13-14-31(5,6)7)23-21(19)26-20(15-25-23)27(4)18-11-9-8-10-12-18;1-19(2,3)18(23)14-10-11-15-17(14)21-16(12-20-15)22(4)13-8-6-5-7-9-13;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/h8-12,15-16H,13-14,17H2,1-7H3;5-10,12H,11H2,1-4H3;9-10H,7-8,11H2,1-6H3
InChIKeyURIREAYNRWJPAV-UHFFFAOYSA-N
XLogP14.27
TPSA163.35 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001158.45
LogP ≤ 514.27
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-(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 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

2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 59540754
2,2-dimethyl-1-[2-[4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 67345891
2,2-dimethyl-1-[2-[3-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]phenyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 67347217
2-(6-fluoro-imidazo[1,5-a]pyridin-1-yl)-5-(2-trimethylsilanylethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carbaldehyde
CID 86677908
Tert-butyl 4-methylpiperazine-1-carboxylate;bis(2,2-dimethyl-1-[2-phenyl-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one);1,1,1,3,3,3-hexafluoropropan-2-ol;methane;1-methylpiperazine
CID 157223939
[4-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-[2-(2-propan-2-ylphenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]methanone
CID 164881111
[5-[6-Cyclopropyl-7-fluoro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 176352810
[5-[6-Bromo-7-chloro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]-[2-(trifluoromethyl)-3-pyridinyl]methanone
CID 176352912
[5-[6-Ethenyl-7-fluoro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 176352926
[5-[6-Cyclopropyl-7-fluoro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 176352953
[5-[6-Bromo-7-fluoro-1-(2-trimethylsilylethoxymethyl)imidazo[4,5-c]pyridin-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 176352972
[5-[6-Pyrimidin-2-yl-1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 176353002

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-(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?
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-(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) is 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.
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-(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?
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-(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 is CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(Br)nc12.CN(c1ccccc1)c1cnc2c(n1)C(C(=O)C(C)(C)C)=CC2.CN(c1ccccc1)c1cnc2c(n1)c(C(=O)C(C)(C)C)cn2COCC[Si](C)(C)C.
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-(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?
The InChIKey is URIREAYNRWJPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2Si.C19H21N3O.C17H26BrN3O2Si/c1-24(2,3)22(29)19-16-28(17-30-13-14-31(5,6)7)23-21(19)26-20(15-25-23)27(4)18-11-9-8-10-12-18;1-19(2,3)18(23)14-10-11-15-17(14)21-16(12-20-15)22(4)13-8-6-5-7-9-13;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/h8-12,15-16H,13-14,17H2,1-7H3;5-10,12H,11H2,1-4H3;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-(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?
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 has a molecular weight of 1158.45 g/mol, XLogP of 14.27, 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-(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 is sourced from PubChem (CID 123657497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).