2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol

C103H92Br4N18O10 — CID 172942697

IUPAC2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCC(CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21)Cc1ccccn1.CN(CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21)Cc1ccccn1.CN1CCC(N(C)CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.O=C1c2ccccc2C(=O)N1CCCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21
InChIInChI=1S/C27H19BrN4O4.C26H23BrN4O2.C25H28BrN5O2.C25H22BrN5O2/c28-15-10-11-21-19(14-15)22(25(33)30-21)24-23(18-8-3-4-9-20(18)29-24)31-36-13-5-12-32-26(34)16-6-1-2-7-17(16)27(32)35;1-16(14-18-6-4-5-12-28-18)11-13-33-31-24-19-7-2-3-8-21(19)29-25(24)23-20-15-17(27)9-10-22(20)30-26(23)32;1-30-11-9-17(10-12-30)31(2)13-14-33-29-23-18-5-3-4-6-20(18)27-24(23)22-19-15-16(26)7-8-21(19)28-25(22)32;1-31(15-17-6-4-5-11-27-17)12-13-33-30-23-18-7-2-3-8-20(18)28-24(23)22-19-14-16(26)9-10-21(19)29-25(22)32/h1-4,6-11,14,30,33H,5,12-13H2;2-10,12,15-16,30,32H,11,13-14H2,1H3;3-8,15,17,28,32H,9-14H2,1-2H3;2-11,14,29,32H,12-13,15H2,1H3/b31-23+;31-24+;29-23+;30-23+
InChIKeyXEXFBAZSMMGNBF-VYNLBCGJSA-N
MW2061.60 g/mol
LogP20.87
Rot. Bonds26

About 2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol

2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol (PubChem CID 172942697) has the molecular formula C103H92Br4N18O10 and a molecular weight of 2061.60 g/mol. Its IUPAC name is 2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol
PubChem CID172942697
Molecular FormulaC103H92Br4N18O10
Molecular Weight2061.60 g/mol
Exact Mass2056.40
IUPAC Name2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCC(CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21)Cc1ccccn1.CN(CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21)Cc1ccccn1.CN1CCC(N(C)CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.O=C1c2ccccc2C(=O)N1CCCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21
InChIInChI=1S/C27H19BrN4O4.C26H23BrN4O2.C25H28BrN5O2.C25H22BrN5O2/c28-15-10-11-21-19(14-15)22(25(33)30-21)24-23(18-8-3-4-9-20(18)29-24)31-36-13-5-12-32-26(34)16-6-1-2-7-17(16)27(32)35;1-16(14-18-6-4-5-12-28-18)11-13-33-31-24-19-7-2-3-8-21(19)29-25(24)23-20-15-17(27)9-10-22(20)30-26(23)32;1-30-11-9-17(10-12-30)31(2)13-14-33-29-23-18-5-3-4-6-20(18)27-24(23)22-19-15-16(26)7-8-21(19)28-25(22)32;1-31(15-17-6-4-5-11-27-17)12-13-33-30-23-18-7-2-3-8-20(18)28-24(23)22-19-14-16(26)9-10-21(19)29-25(22)32/h1-4,6-11,14,30,33H,5,12-13H2;2-10,12,15-16,30,32H,11,13-14H2,1H3;3-8,15,17,28,32H,9-14H2,1-2H3;2-11,14,29,32H,12-13,15H2,1H3/b31-23+;31-24+;29-23+;30-23+
InChIKeyXEXFBAZSMMGNBF-VYNLBCGJSA-N
XLogP20.87
TPSA352.76 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms135
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002061.60
LogP ≤ 520.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

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'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The IUPAC name of 2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol (CID 172942697) is 2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol is CC(CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21)Cc1ccccn1.CN(CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21)Cc1ccccn1.CN1CCC(N(C)CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.O=C1c2ccccc2C(=O)N1CCCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.
What is the InChIKey of 2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The InChIKey is XEXFBAZSMMGNBF-VYNLBCGJSA-N. The full InChI is InChI=1S/C27H19BrN4O4.C26H23BrN4O2.C25H28BrN5O2.C25H22BrN5O2/c28-15-10-11-21-19(14-15)22(25(33)30-21)24-23(18-8-3-4-9-20(18)29-24)31-36-13-5-12-32-26(34)16-6-1-2-7-17(16)27(32)35;1-16(14-18-6-4-5-12-28-18)11-13-33-31-24-19-7-2-3-8-21(19)29-25(24)23-20-15-17(27)9-10-22(20)30-26(23)32;1-30-11-9-17(10-12-30)31(2)13-14-33-29-23-18-5-3-4-6-20(18)27-24(23)22-19-15-16(26)7-8-21(19)28-25(22)32;1-31(15-17-6-4-5-11-27-17)12-13-33-30-23-18-7-2-3-8-20(18)28-24(23)22-19-14-16(26)9-10-21(19)29-25(22)32/h1-4,6-11,14,30,33H,5,12-13H2;2-10,12,15-16,30,32H,11,13-14H2,1H3;3-8,15,17,28,32H,9-14H2,1-2H3;2-11,14,29,32H,12-13,15H2,1H3/b31-23+;31-24+;29-23+;30-23+.
What are the key properties of 2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol?
2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol has a molecular weight of 2061.60 g/mol, XLogP of 20.87, 26 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-methyl-4-pyridin-2-ylbutoxy)iminoindol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 172942697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).