5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol

C145H152Br6N23O12+ — CID 172964893

IUPAC5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
SMILESCC1CCCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CC1CCCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CCCN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCC[NH+]1CCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCC1CCCC1.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCN1CCCC1
InChIInChI=1S/C26H29BrN4O2.C25H28BrN5O2.C25H26BrN3O2.C24H25BrN4O2.C23H22BrN3O2.C22H21BrN4O2/c1-2-12-31-13-9-17(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;1-15-5-4-6-16(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;24-15-9-10-19-17(13-15)20(23(28)26-19)22-21(16-7-3-4-8-18(16)25-22)27-29-12-11-14-5-1-2-6-14;23-14-7-8-18-16(13-14)19(22(28)25-18)21-20(15-5-1-2-6-17(15)24-21)26-29-12-11-27-9-3-4-10-27/h3-8,16-17,29,32H,2,9-15H2,1H3;3-8,16,28,32H,2,9-15H2,1H3;2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;3-4,7-10,13-14,26,28H,1-2,5-6,11-12H2;1-2,5-8,13,25,28H,3-4,9-12H2/p+1/b;;;;27-21+;26-20+
InChIKeyRUHIPPQHVKOVLV-IYMONVRTSA-O
MW2888.38 g/mol
LogP31.69
Rot. Bonds34

About 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol

5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol (PubChem CID 172964893) has the molecular formula C145H152Br6N23O12+ and a molecular weight of 2888.38 g/mol. Its IUPAC name is 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
PubChem CID172964893
Molecular FormulaC145H152Br6N23O12+
Molecular Weight2888.38 g/mol
Exact Mass2880.71
IUPAC Name5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol
SMILESCC1CCCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CC1CCCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CCCN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCC[NH+]1CCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCC1CCCC1.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCN1CCCC1
InChIInChI=1S/C26H29BrN4O2.C25H28BrN5O2.C25H26BrN3O2.C24H25BrN4O2.C23H22BrN3O2.C22H21BrN4O2/c1-2-12-31-13-9-17(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;1-15-5-4-6-16(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;24-15-9-10-19-17(13-15)20(23(28)26-19)22-21(16-7-3-4-8-18(16)25-22)27-29-12-11-14-5-1-2-6-14;23-14-7-8-18-16(13-14)19(22(28)25-18)21-20(15-5-1-2-6-17(15)24-21)26-29-12-11-27-9-3-4-10-27/h3-8,16-17,29,32H,2,9-15H2,1H3;3-8,16,28,32H,2,9-15H2,1H3;2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;3-4,7-10,13-14,26,28H,1-2,5-6,11-12H2;1-2,5-8,13,25,28H,3-4,9-12H2/p+1/b;;;;27-21+;26-20+
InChIKeyRUHIPPQHVKOVLV-IYMONVRTSA-O
XLogP31.69
TPSA437.22 Ų
H-Bond Donors13
H-Bond Acceptors28
Rotatable Bonds34
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002888.38
LogP ≤ 531.69
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1028

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-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol (CID 172964893) is 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol is CC1CCCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CC1CCCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CCCN1CCN(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.CCC[NH+]1CCC(CCON=C2C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)CC1.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCC1CCCC1.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCN1CCCC1.
What is the InChIKey of 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
The InChIKey is RUHIPPQHVKOVLV-IYMONVRTSA-O. The full InChI is InChI=1S/C26H29BrN4O2.C25H28BrN5O2.C25H26BrN3O2.C24H25BrN4O2.C23H22BrN3O2.C22H21BrN4O2/c1-2-12-31-13-9-17(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;1-15-5-4-6-16(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;24-15-9-10-19-17(13-15)20(23(28)26-19)22-21(16-7-3-4-8-18(16)25-22)27-29-12-11-14-5-1-2-6-14;23-14-7-8-18-16(13-14)19(22(28)25-18)21-20(15-5-1-2-6-17(15)24-21)26-29-12-11-27-9-3-4-10-27/h3-8,16-17,29,32H,2,9-15H2,1H3;3-8,16,28,32H,2,9-15H2,1H3;2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;2-3,6-9,13,15,27,30H,4-5,10-12,14H2,1H3;3-4,7-10,13-14,26,28H,1-2,5-6,11-12H2;1-2,5-8,13,25,28H,3-4,9-12H2/p+1/b;;;;27-21+;26-20+.
What are the key properties of 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol?
5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol has a molecular weight of 2888.38 g/mol, XLogP of 31.69, 34 rotatable bonds, 13 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(3-methylpiperidin-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-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(2-pyrrolidin-1-ylethoxyimino)indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 172964893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).