2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one

C92H96Br4N15O8+ — CID 172916925

About 2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one

2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one (PubChem CID 172916925) has the molecular formula C92H96Br4N15O8+ and a molecular weight of 1859.49 g/mol. Its IUPAC name is 2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one.

Molecular Properties

• Compound Name: 2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one
• PubChem CID: 172916925
• Molecular Formula: C92H96Br4N15O8+
• Molecular Weight: 1859.49 g/mol
• Exact Mass: 1854.43
• IUPAC Name: 2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one
• SMILES: CC1CCCN(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CCCN(C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC[NH+](C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.O=C1Cc2ccc(Br)cc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCCCC1
• InChI: InChI=1S/C24H25BrN4O2.C24H24BrN3O2.2C22H23BrN4O2/c1-15-5-4-10-29(14-15)11-12-31-28-22-17-6-2-3-7-19(17)26-23(22)21-18-13-16(25)8-9-20(18)27-24(21)30;25-17-9-8-16-14-21(29)22(19(16)15-17)24-23(18-6-2-3-7-20(18)26-24)27-30-13-12-28-10-4-1-5-11-28;2*1-3-10-27(2)11-12-29-26-20-15-6-4-5-7-17(15)24-21(20)19-16-13-14(23)8-9-18(16)25-22(19)28/h2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;2-3,6-9,15,26H,1,4-5,10-14H2;2*4-9,13,25,28H,3,10-12H2,1-2H3/p+1/b28-22+;24-22-,27-23+;2*26-20+
• InChIKey: PAEZESLYYGPEJW-IPDZLEDKSA-O
• XLogP: 18.09
• TPSA: 274.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 19
• Rotatable Bonds: 23
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1859.49
LogP ≤ 5	18.09
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one?

The IUPAC name of 2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one (CID 172916925) is 2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one.

What is the SMILES notation for 2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one?

The canonical SMILES for 2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one is CC1CCCN(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CCCN(C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC[NH+](C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.O=C1Cc2ccc(Br)cc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCCCC1.

What is the InChIKey of 2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one?

The InChIKey is PAEZESLYYGPEJW-IPDZLEDKSA-O. The full InChI is InChI=1S/C24H25BrN4O2.C24H24BrN3O2.2C22H23BrN4O2/c1-15-5-4-10-29(14-15)11-12-31-28-22-17-6-2-3-7-19(17)26-23(22)21-18-13-16(25)8-9-20(18)27-24(21)30;25-17-9-8-16-14-21(29)22(19(16)15-17)24-23(18-6-2-3-7-20(18)26-24)27-30-13-12-28-10-4-1-5-11-28;2*1-3-10-27(2)11-12-29-26-20-15-6-4-5-7-17(15)24-21(20)19-16-13-14(23)8-9-18(16)25-22(19)28/h2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;2-3,6-9,15,26H,1,4-5,10-14H2;2*4-9,13,25,28H,3,10-12H2,1-2H3/p+1/b28-22+;24-22-,27-23+;2*26-20+.

What are the key properties of 2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one?

2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one has a molecular weight of 1859.49 g/mol, XLogP of 18.09, 23 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one is sourced from PubChem (CID 172916925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).