5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol

C96H105Br4N16O8+ — CID 172919626

IUPAC5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCC(C)CC[NH+](C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CC1CCCC(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CC1CCCN(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CN(C)CCN(C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21
InChIInChI=1S/C25H26BrN3O2.C24H25BrN4O2.C24H27BrN4O2.C23H26BrN5O2/c1-15-5-4-6-16(13-15)11-12-31-29-23-18-7-2-3-8-20(18)27-24(23)22-19-14-17(26)9-10-21(19)28-25(22)30;1-15-5-4-10-29(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;1-15(2)10-11-29(3)12-13-31-28-22-17-6-4-5-7-19(17)26-23(22)21-18-14-16(25)8-9-20(18)27-24(21)30;1-28(2)10-11-29(3)12-13-31-27-21-16-6-4-5-7-18(16)25-22(21)20-17-14-15(24)8-9-19(17)26-23(20)30/h2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;4-9,14-15,27,30H,10-13H2,1-3H3;4-9,14,26,30H,10-13H2,1-3H3/p+1/b29-23+;2*28-22+;27-21+
InChIKeyADMJFBNGDLRRFR-NTURBRLKSA-O
MW1930.62 g/mol
LogP19.97
Rot. Bonds26

About 5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol

5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol (PubChem CID 172919626) has the molecular formula C96H105Br4N16O8+ and a molecular weight of 1930.62 g/mol. Its IUPAC name is 5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
PubChem CID172919626
Molecular FormulaC96H105Br4N16O8+
Molecular Weight1930.62 g/mol
Exact Mass1925.50
IUPAC Name5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCC(C)CC[NH+](C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CC1CCCC(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CC1CCCN(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CN(C)CCN(C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21
InChIInChI=1S/C25H26BrN3O2.C24H25BrN4O2.C24H27BrN4O2.C23H26BrN5O2/c1-15-5-4-6-16(13-15)11-12-31-29-23-18-7-2-3-8-20(18)27-24(23)22-19-14-17(26)9-10-21(19)28-25(22)30;1-15-5-4-10-29(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;1-15(2)10-11-29(3)12-13-31-28-22-17-6-4-5-7-19(17)26-23(22)21-18-14-16(25)8-9-20(18)27-24(21)30;1-28(2)10-11-29(3)12-13-31-27-21-16-6-4-5-7-18(16)25-22(21)20-17-14-15(24)8-9-19(17)26-23(20)30/h2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;4-9,14-15,27,30H,10-13H2,1-3H3;4-9,14,26,30H,10-13H2,1-3H3/p+1/b29-23+;2*28-22+;27-21+
InChIKeyADMJFBNGDLRRFR-NTURBRLKSA-O
XLogP19.97
TPSA294.04 Ų
H-Bond Donors9
H-Bond Acceptors19
Rotatable Bonds26
Heavy Atoms124
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001930.62
LogP ≤ 519.97
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1019

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol with MolForge

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Related Compounds

5-bromo-3-[(3E)-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 136387395
(2''Z,3''E)-7-bromoindirubin-3''-[O-(2-piperazin-1-ylethyl)oxime
CID 135423823
5-bromo-3-[(3E)-3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 136387386
3-[(3E)-5-bromo-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-5-methyl-1H-indol-2-ol;dihydrochloride
CID 135779793
3-[(3E)-5-bromo-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 135779823
3-[(3E)-5-bromo-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-5-methyl-1H-indol-2-ol
CID 135779794
3-[(3E)-5-bromo-3-(2-piperazin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol;dihydrochloride
CID 136630664
3-[(3E)-5-bromo-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 135779822
3-[(3E)-5-bromo-3-(2-pyrrolidin-1-ium-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol chloride
CID 135779824
3-[(3E)-5-bromo-3-(2-piperazine-1,4-diium-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol dichloride
CID 135779825
5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
CID 136380904
5-bromo-3-[(3E)-3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 136387385

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol (CID 172919626) is 5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol is CC(C)CC[NH+](C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CC1CCCC(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CC1CCCN(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CN(C)CCN(C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.
What is the InChIKey of 5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The InChIKey is ADMJFBNGDLRRFR-NTURBRLKSA-O. The full InChI is InChI=1S/C25H26BrN3O2.C24H25BrN4O2.C24H27BrN4O2.C23H26BrN5O2/c1-15-5-4-6-16(13-15)11-12-31-29-23-18-7-2-3-8-20(18)27-24(23)22-19-14-17(26)9-10-21(19)28-25(22)30;1-15-5-4-10-29(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;1-15(2)10-11-29(3)12-13-31-28-22-17-6-4-5-7-19(17)26-23(22)21-18-14-16(25)8-9-20(18)27-24(21)30;1-28(2)10-11-29(3)12-13-31-27-21-16-6-4-5-7-18(16)25-22(21)20-17-14-15(24)8-9-19(17)26-23(20)30/h2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;4-9,14-15,27,30H,10-13H2,1-3H3;4-9,14,26,30H,10-13H2,1-3H3/p+1/b29-23+;2*28-22+;27-21+.
What are the key properties of 5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?
5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol has a molecular weight of 1930.62 g/mol, XLogP of 19.97, 26 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3E)-3-[2-[2-(dimethylamino)ethyl-methylamino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-(3-methylbutyl)azanium;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 172919626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).