2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

C38H40Br2N8O3Si — CID 159172146

IUPAC2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C.COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3n1COCC[Si](C)(C)C)cn2C
InChIInChI=1S/C22H27BrN4O2Si.C16H13BrN4O/c1-26-13-17(16-10-15(28-2)6-7-19(16)26)20-11-18-22(24-12-21(23)25-18)27(20)14-29-8-9-30(3,4)5;1-21-8-11(10-5-9(22-2)3-4-14(10)21)12-6-13-16(20-12)18-7-15(17)19-13/h6-7,10-13H,8-9,14H2,1-5H3;3-8H,1-2H3,(H,18,20)
InChIKeyKLVBNZJCVFUIHG-UHFFFAOYSA-N
MW844.68 g/mol
LogP9.56
Rot. Bonds9

About 2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane

2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (PubChem CID 159172146) has the molecular formula C38H40Br2N8O3Si and a molecular weight of 844.68 g/mol. Its IUPAC name is 2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
PubChem CID159172146
Molecular FormulaC38H40Br2N8O3Si
Molecular Weight844.68 g/mol
Exact Mass842.14
IUPAC Name2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane
SMILESCOc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C.COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3n1COCC[Si](C)(C)C)cn2C
InChIInChI=1S/C22H27BrN4O2Si.C16H13BrN4O/c1-26-13-17(16-10-15(28-2)6-7-19(16)26)20-11-18-22(24-12-21(23)25-18)27(20)14-29-8-9-30(3,4)5;1-21-8-11(10-5-9(22-2)3-4-14(10)21)12-6-13-16(20-12)18-7-15(17)19-13/h6-7,10-13H,8-9,14H2,1-5H3;3-8H,1-2H3,(H,18,20)
InChIKeyKLVBNZJCVFUIHG-UHFFFAOYSA-N
XLogP9.56
TPSA109.83 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500844.68
LogP ≤ 59.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane with MolForge

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Related Compounds

6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
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4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206869
6-Benzyloxy-1,1-dibutyl-3-(4-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-beta-carboline
CID 11049745
N'-(5-ethyl-9-methoxy-11-methyl-6H-indolo[2,3-b][1,6]naphthyridin-5-ium-1-yl)-N-[3-[(5-ethyl-9-methoxy-11-methyl-6H-indolo[2,3-b][1,6]naphthyridin-5-ium-1-yl)amino]propyl]propane-1,3-diamine
CID 44438255
(1R,3R)-3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-1-(oxan-4-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 127030229
7-benzyl-4-(5-methoxy-2,3-dihydroindol-1-yl)-2-methyl-5H-pyrrolo[3,2-d]pyrimidine;hydrochloride
CID 137658762
2-bromo-6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 49830675
1-(3-methoxyphenyl)-2-[(1-pyrimidin-2-yl-1H-pyrrol-2-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16191639
4-(6-methoxy-9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine
CID 5257255
4-[4-[5-(3-ethoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 90114599
4-[4-[5-(3-methoxyphenyl)-4-methyl-1H-imidazol-2-yl]-1-piperidyl]-6-(2-methoxy-4-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413894
4-[4-[5-(3-methoxyphenyl)-4-methyl-1H-imidazol-2-yl]-4-methyl-1-piperidyl]-6-(6-methoxy-3-pyridyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118413984

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane (CID 159172146) is 2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3[nH]1)cn2C.COc1ccc2c(c1)c(-c1cc3nc(Br)cnc3n1COCC[Si](C)(C)C)cn2C.
What is the InChIKey of 2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is KLVBNZJCVFUIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27BrN4O2Si.C16H13BrN4O/c1-26-13-17(16-10-15(28-2)6-7-19(16)26)20-11-18-22(24-12-21(23)25-18)27(20)14-29-8-9-30(3,4)5;1-21-8-11(10-5-9(22-2)3-4-14(10)21)12-6-13-16(20-12)18-7-15(17)19-13/h6-7,10-13H,8-9,14H2,1-5H3;3-8H,1-2H3,(H,18,20).
What are the key properties of 2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane?
2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 844.68 g/mol, XLogP of 9.56, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine;2-[[2-bromo-6-(5-methoxy-1-methylindol-3-yl)pyrrolo[2,3-b]pyrazin-5-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 159172146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).