5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane

C34H48Br2N4OSi — CID 161330631

IUPAC5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(Br)cc12.CN1CCC[C@@H]1Cc1cn(COCC[Si](C)(C)C)c2ccc(Br)cc12
InChIInChI=1S/C20H31BrN2OSi.C14H17BrN2/c1-22-9-5-6-18(22)12-16-14-23(15-24-10-11-25(2,3)4)20-8-7-17(21)13-19(16)20;1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h7-8,13-14,18H,5-6,9-12,15H2,1-4H3;4-5,8-9,12,16H,2-3,6-7H2,1H3/t18-;12-/m11/s1
InChIKeyVLJFESNXCDOUCP-WQKYGFMSSA-N
MW716.68 g/mol
LogP8.92
Rot. Bonds9

About 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane

5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 161330631) has the molecular formula C34H48Br2N4OSi and a molecular weight of 716.68 g/mol. Its IUPAC name is 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID161330631
Molecular FormulaC34H48Br2N4OSi
Molecular Weight716.68 g/mol
Exact Mass714.20
IUPAC Name5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane
SMILESCN1CCC[C@@H]1Cc1c[nH]c2ccc(Br)cc12.CN1CCC[C@@H]1Cc1cn(COCC[Si](C)(C)C)c2ccc(Br)cc12
InChIInChI=1S/C20H31BrN2OSi.C14H17BrN2/c1-22-9-5-6-18(22)12-16-14-23(15-24-10-11-25(2,3)4)20-8-7-17(21)13-19(16)20;1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h7-8,13-14,18H,5-6,9-12,15H2,1-4H3;4-5,8-9,12,16H,2-3,6-7H2,1H3/t18-;12-/m11/s1
InChIKeyVLJFESNXCDOUCP-WQKYGFMSSA-N
XLogP8.92
TPSA36.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.68
LogP ≤ 58.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole
CID 10201214
5-bromo-3-[3-[4-[3-(5-bromo-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-1H-indole
CID 72734840
3-[[5-[bis(5-bromo-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 127036138
5-bromo-3-(1H-indol-2-ylmethyl)-1H-indole
CID 118885450
3-[[4-[bis(5-bromo-1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 57326785
3-[[4-[bis(1H-indol-3-yl)methyl]phenyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 57326786
3-[[6-[bis(5-bromo-1H-indol-3-yl)methyl]-2-pyridinyl]-(5-bromo-1H-indol-3-yl)methyl]-5-bromo-1H-indole
CID 127035943
5-bromo-3-[5-(5-bromo-1-methylindol-3-yl)-1H-pyrrol-2-yl]-1-methylindole
CID 164610179
1-(5-bromo-1H-indol-3-yl)-N-[(5-bromo-1H-indol-3-yl)methyl]-N-methyl-methanamine
CID 472151
5-bromo-3-[1-(5-bromo-1H-indol-3-yl)octyl]-1H-indole
CID 73350867
5-bromo-3-[1-(5-bromo-1H-indol-3-yl)butyl]-1H-indole
CID 73356895
5-bromo-3-[1-(5-bromo-1H-indol-3-yl)ethyl]-1H-indole
CID 50916213

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane (CID 161330631) is 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane is CN1CCC[C@@H]1Cc1c[nH]c2ccc(Br)cc12.CN1CCC[C@@H]1Cc1cn(COCC[Si](C)(C)C)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is VLJFESNXCDOUCP-WQKYGFMSSA-N. The full InChI is InChI=1S/C20H31BrN2OSi.C14H17BrN2/c1-22-9-5-6-18(22)12-16-14-23(15-24-10-11-25(2,3)4)20-8-7-17(21)13-19(16)20;1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h7-8,13-14,18H,5-6,9-12,15H2,1-4H3;4-5,8-9,12,16H,2-3,6-7H2,1H3/t18-;12-/m11/s1.
What are the key properties of 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane?
5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 716.68 g/mol, XLogP of 8.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;2-[[5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]indol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 161330631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).