5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one)

C118H121Br5N17O12+ — CID 172932865

About 5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one)

5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one) (PubChem CID 172932865) has the molecular formula C118H121Br5N17O12+ and a molecular weight of 2368.89 g/mol. Its IUPAC name is 5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one).

Molecular Properties

• Compound Name: 5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one)
• PubChem CID: 172932865
• Molecular Formula: C118H121Br5N17O12+
• Molecular Weight: 2368.89 g/mol
• Exact Mass: 2362.53
• IUPAC Name: 5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one)
• SMILES: CCCN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC[NH+](C)CCON=C1/C(=C2/C(=O)Nc3ccc(Br)cc32)Cc2ccccc21.O=C(O)CN1CCN(CCON=C2/C(=C3/C(=O)Cc4ccc(Br)cc43)Nc3ccccc32)CC1.O=C1Cc2ccc(Br)cc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCCCC1.O=C1Cc2ccc(Br)cc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCCCC1
• InChI: InChI=1S/C25H25BrN4O4.2C24H24BrN3O2.C23H24BrN3O2.C22H23BrN4O2/c26-17-6-5-16-13-21(31)23(19(16)14-17)25-24(18-3-1-2-4-20(18)27-25)28-34-12-11-29-7-9-30(10-8-29)15-22(32)33;2*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;1-3-10-27(2)11-12-29-26-22-17-7-5-4-6-15(17)13-19(22)21-18-14-16(24)8-9-20(18)25-23(21)28;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/h1-6,14,27H,7-13,15H2,(H,32,33);2*2-3,6-9,15,26H,1,4-5,10-14H2;4-9,14H,3,10-13H2,1-2H3,(H,25,28);4-9,13,25,28H,3,10-12H2,1-2H3/p+1/b25-23-,28-24?;2*24-22-,27-23+;21-19+,26-22?
• InChIKey: HHMIWWGYPSXULE-GFIIIUTJSA-O
• XLogP: 19.96
• TPSA: 330.67 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2368.89
LogP ≤ 5	19.96
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	25

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 5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one)?

The IUPAC name of 5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one) (CID 172932865) is 5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one).

What is the SMILES notation for 5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one)?

The canonical SMILES for 5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one) is CCCN(C)CCON=C1C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC[NH+](C)CCON=C1/C(=C2/C(=O)Nc3ccc(Br)cc32)Cc2ccccc21.O=C(O)CN1CCN(CCON=C2/C(=C3/C(=O)Cc4ccc(Br)cc43)Nc3ccccc32)CC1.O=C1Cc2ccc(Br)cc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCCCC1.O=C1Cc2ccc(Br)cc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CCCCC1.

What is the InChIKey of 5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one)?

The InChIKey is HHMIWWGYPSXULE-GFIIIUTJSA-O. The full InChI is InChI=1S/C25H25BrN4O4.2C24H24BrN3O2.C23H24BrN3O2.C22H23BrN4O2/c26-17-6-5-16-13-21(31)23(19(16)14-17)25-24(18-3-1-2-4-20(18)27-25)28-34-12-11-29-7-9-30(10-8-29)15-22(32)33;2*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;1-3-10-27(2)11-12-29-26-22-17-7-5-4-6-15(17)13-19(22)21-18-14-16(24)8-9-20(18)25-23(21)28;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/h1-6,14,27H,7-13,15H2,(H,32,33);2*2-3,6-9,15,26H,1,4-5,10-14H2;4-9,14H,3,10-13H2,1-2H3,(H,25,28);4-9,13,25,28H,3,10-12H2,1-2H3/p+1/b25-23-,28-24?;2*24-22-,27-23+;21-19+,26-22?;.

What are the key properties of 5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one)?

5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one) has a molecular weight of 2368.89 g/mol, XLogP of 19.96, 27 rotatable bonds, 8 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[4-[2-[[(2Z)-2-(6-bromo-2-oxo-3H-inden-1-ylidene)-1H-indol-3-ylidene]amino]oxyethyl]piperazin-1-yl]acetic acid;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-methyl-propylazanium;bis((3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one) is sourced from PubChem (CID 172932865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).