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

C65H87BrN12O6Si2 — CID 158220420

IUPAC1-[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
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(NC(=O)NC3CCCCC3)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(N=C(c3ccccc3)c3ccccc3)nc12
InChIInChI=1S/C30H36N4O2Si.C18H25N5O2.C17H26BrN3O2Si/c1-30(2,3)28(35)24-20-34(21-36-17-18-37(4,5)6)29-27(24)33-25(19-31-29)32-26(22-13-9-7-10-14-22)23-15-11-8-12-16-23;1-18(2,3)15(24)12-9-19-16-14(12)22-13(10-20-16)23-17(25)21-11-7-5-4-6-8-11;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/h7-16,19-20H,17-18,21H2,1-6H3;9-11H,4-8H2,1-3H3,(H,19,20)(H2,21,22,23,25);9-10H,7-8,11H2,1-6H3
InChIKeyGDEDUDMRQOUUES-UHFFFAOYSA-N
MW1268.56 g/mol
LogP15.52
Rot. Bonds18

About 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

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 (PubChem CID 158220420) has the molecular formula C65H87BrN12O6Si2 and a molecular weight of 1268.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID158220420
Molecular FormulaC65H87BrN12O6Si2
Molecular Weight1268.56 g/mol
Exact Mass1266.56
IUPAC Name1-[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
SMILESCC(C)(C)C(=O)c1c[nH]c2ncc(NC(=O)NC3CCCCC3)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(N=C(c3ccccc3)c3ccccc3)nc12
InChIInChI=1S/C30H36N4O2Si.C18H25N5O2.C17H26BrN3O2Si/c1-30(2,3)28(35)24-20-34(21-36-17-18-37(4,5)6)29-27(24)33-25(19-31-29)32-26(22-13-9-7-10-14-22)23-15-11-8-12-16-23;1-18(2,3)15(24)12-9-19-16-14(12)22-13(10-20-16)23-17(25)21-11-7-5-4-6-8-11;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/h7-16,19-20H,17-18,21H2,1-6H3;9-11H,4-8H2,1-3H3,(H,19,20)(H2,21,22,23,25);9-10H,7-8,11H2,1-6H3
InChIKeyGDEDUDMRQOUUES-UHFFFAOYSA-N
XLogP15.52
TPSA226.15 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001268.56
LogP ≤ 515.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-2-(5H-pyrrolo[2,3-b]pyrazin-7-yl)acetamide
CID 90683684
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
2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;2-(6-fluoro-1-methylindazol-3-yl)-N-[(1R)-1-[4-(trifluoromethyl)-2-pyridinyl]ethyl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 157463229
2,2-dimethyl-1-[2-[3-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one;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;1-[2-(3-iodophenyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one;3-(trifluoromethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 158902387
N-[(2R)-3,3-difluoro-4-phenylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide;N-[(2R)-3,3-difluoro-4-phenylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 159929018
1-[2-(1H-Indol-5-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethyl-propan-1-one
CID 57829224
1-[2-(1H-indol-3-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethyl-propan-1-one
CID 57829579
tert-butyl N-[1-[2-[3-[7-(2,2-dimethylpropanoyl)-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazin-2-yl]indol-1-yl]acetyl]piperidin-4-yl]carbamate
CID 57829675
2,2-dimethyl-1-[2-{1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-1H-indol-3-yl}-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-propan-1-one
CID 57829682
[4-[2-[3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethyl]-4-phenylpiperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 58728385
2,2-Dimethyl-1-[2-(3-piperazin-1-yl-phenyl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]-propan-1-one
CID 59540668
ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 59540825

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)C(=O)c1c[nH]c2ncc(NC(=O)NC3CCCCC3)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(N=C(c3ccccc3)c3ccccc3)nc12.
What is the InChIKey of 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?
The InChIKey is GDEDUDMRQOUUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O2Si.C18H25N5O2.C17H26BrN3O2Si/c1-30(2,3)28(35)24-20-34(21-36-17-18-37(4,5)6)29-27(24)33-25(19-31-29)32-26(22-13-9-7-10-14-22)23-15-11-8-12-16-23;1-18(2,3)15(24)12-9-19-16-14(12)22-13(10-20-16)23-17(25)21-11-7-5-4-6-8-11;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/h7-16,19-20H,17-18,21H2,1-6H3;9-11H,4-8H2,1-3H3,(H,19,20)(H2,21,22,23,25);9-10H,7-8,11H2,1-6H3.
What are the key properties of 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?
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 has a molecular weight of 1268.56 g/mol, XLogP of 15.52, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158220420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).