5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol

C152H171Br6N28O14+ — CID 167589450

About 5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol

5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol (PubChem CID 167589450) has the molecular formula C152H171Br6N28O14+ and a molecular weight of 3093.65 g/mol. Its IUPAC name is 5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol.

Molecular Properties

• Compound Name: 5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
• PubChem CID: 167589450
• Molecular Formula: C152H171Br6N28O14+
• Molecular Weight: 3093.65 g/mol
• Exact Mass: 3085.86
• IUPAC Name: 5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
• SMILES: CCCN1CCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCCN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCCOCCN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCCOCCN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.C[NH+]1CCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1
• InChI: InChI=1S/2C27H32BrN5O3.C26H29BrN4O2.C25H28BrN5O2.C24H25BrN4O2.C23H24BrN5O2/c2*1-2-15-35-16-13-32-9-11-33(12-10-32)14-17-36-31-25-20-5-3-4-6-22(20)29-26(25)24-21-18-19(28)7-8-23(21)30-27(24)34;1-2-12-31-13-9-17(10-14-31)11-15-33-30-24-19-5-3-4-6-21(19)28-25(24)23-20-16-18(27)7-8-22(20)29-26(23)32;1-2-9-30-10-12-31(13-11-30)14-15-33-29-23-18-5-3-4-6-20(18)27-24(23)22-19-16-17(26)7-8-21(19)28-25(22)32;1-29-11-8-15(9-12-29)10-13-31-28-22-17-4-2-3-5-19(17)26-23(22)21-18-14-16(25)6-7-20(18)27-24(21)30;1-28-8-10-29(11-9-28)12-13-31-27-21-16-4-2-3-5-18(16)25-22(21)20-17-14-15(24)6-7-19(17)26-23(20)30/h2*3-8,18,30,34H,2,9-17H2,1H3;3-8,16-17,29,32H,2,9-15H2,1H3;3-8,16,28,32H,2,9-15H2,1H3;2-7,14-15,27,30H,8-13H2,1H3;2-7,14,26,30H,8-13H2,1H3/p+1
• InChIKey: NPKXILVIGHIJPS-UHFFFAOYSA-O
• XLogP: 27.14
• TPSA: 471.88 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 35
• Rotatable Bonds: 44
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3093.65
LogP ≤ 5	27.14
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	35

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'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?

The IUPAC name of 5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol (CID 167589450) is 5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol.

What is the SMILES notation for 5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?

The canonical SMILES for 5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol is CCCN1CCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCCN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCCOCCN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCCOCCN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.C[NH+]1CCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.

What is the InChIKey of 5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?

The InChIKey is NPKXILVIGHIJPS-UHFFFAOYSA-O. The full InChI is InChI=1S/2C27H32BrN5O3.C26H29BrN4O2.C25H28BrN5O2.C24H25BrN4O2.C23H24BrN5O2/c2*1-2-15-35-16-13-32-9-11-33(12-10-32)14-17-36-31-25-20-5-3-4-6-22(20)29-26(25)24-21-18-19(28)7-8-23(21)30-27(24)34;1-2-12-31-13-9-17(10-14-31)11-15-33-30-24-19-5-3-4-6-21(19)28-25(24)23-20-16-18(27)7-8-22(20)29-26(23)32;1-2-9-30-10-12-31(13-11-30)14-15-33-29-23-18-5-3-4-6-20(18)27-24(23)22-19-16-17(26)7-8-21(19)28-25(22)32;1-29-11-8-15(9-12-29)10-13-31-28-22-17-4-2-3-5-19(17)26-23(22)21-18-14-16(25)6-7-20(18)27-24(21)30;1-28-8-10-29(11-9-28)12-13-31-27-21-16-4-2-3-5-18(16)25-22(21)20-17-14-15(24)6-7-19(17)26-23(20)30/h2*3-8,18,30,34H,2,9-17H2,1H3;3-8,16-17,29,32H,2,9-15H2,1H3;3-8,16,28,32H,2,9-15H2,1H3;2-7,14-15,27,30H,8-13H2,1H3;2-7,14,26,30H,8-13H2,1H3/p+1.

What are the key properties of 5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol?

5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol has a molecular weight of 3093.65 g/mol, XLogP of 27.14, 44 rotatable bonds, 13 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[3-[2-(4-methylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-methylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;bis(5-bromo-3-[3-[2-[4-(2-propoxyethyl)piperazin-1-yl]ethoxyimino]indol-2-yl]-1H-indol-2-ol);5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 167589450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).