2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid

C153H117I5N10O27S — CID 158447707

About 2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid

2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid (PubChem CID 158447707) has the molecular formula C153H117I5N10O27S and a molecular weight of 3194.25 g/mol. Its IUPAC name is 2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid.

Molecular Properties

• Compound Name: 2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid
• PubChem CID: 158447707
• Molecular Formula: C153H117I5N10O27S
• Molecular Weight: 3194.25 g/mol
• Exact Mass: 3192.30
• IUPAC Name: 2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid
• SMILES: CCc1ccc(-c2cccc(NC(=O)C(=O)Cc3cccc(-c4c(I)c5cc(C(=O)O)c(O)cc5n4C)c3)c2)o1.Cc1ccc(-c2cccc(NC(=O)C(=O)Cc3cccc(-c4c(I)c5cc(C(=O)O)c(O)cc5n4C)c3)c2)cc1.Cc1cccc(-c2ccc(NC(=O)C(=O)Cc3cccc(-c4c(I)c5cc(C(=O)O)c(O)cc5n4C)c3)cc2)c1.Cn1c(-c2cccc(CC(=O)C(=O)Nc3cccc(-c4ccco4)c3)c2)c(I)c2cc(C(=O)O)c(O)cc21.Cn1c(-c2cccc(CC(=O)C(=O)Nc3cccc(-c4ccsc4)c3)c2)c(I)c2cc(C(=O)O)c(O)cc21
• InChI: InChI=1S/2C32H25IN2O5.C31H25IN2O6.C29H21IN2O6.C29H21IN2O5S/c1-18-9-11-20(12-10-18)21-6-4-8-23(15-21)34-31(38)28(37)14-19-5-3-7-22(13-19)30-29(33)24-16-25(32(39)40)27(36)17-26(24)35(30)2;1-18-5-3-7-21(13-18)20-9-11-23(12-10-20)34-31(38)28(37)15-19-6-4-8-22(14-19)30-29(33)24-16-25(32(39)40)27(36)17-26(24)35(30)2;1-3-21-10-11-27(40-21)18-7-5-9-20(14-18)33-30(37)26(36)13-17-6-4-8-19(12-17)29-28(32)22-15-23(31(38)39)25(35)16-24(22)34(29)2;1-32-22-15-23(33)21(29(36)37)14-20(22)26(30)27(32)18-7-2-5-16(11-18)12-24(34)28(35)31-19-8-3-6-17(13-19)25-9-4-10-38-25;1-32-23-14-24(33)22(29(36)37)13-21(23)26(30)27(32)18-6-2-4-16(10-18)11-25(34)28(35)31-20-7-3-5-17(12-20)19-8-9-38-15-19/h3-13,15-17,36H,14H2,1-2H3,(H,34,38)(H,39,40);3-14,16-17,36H,15H2,1-2H3,(H,34,38)(H,39,40);4-12,14-16,35H,3,13H2,1-2H3,(H,33,37)(H,38,39);2-11,13-15,33H,12H2,1H3,(H,31,35)(H,36,37);2-10,12-15,33H,11H2,1H3,(H,31,35)(H,36,37)
• InChIKey: HDOYXZFVRMFCIA-UHFFFAOYSA-N
• XLogP: 31.78
• TPSA: 569.43 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 28
• Rotatable Bonds: 36
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3194.25
LogP ≤ 5	31.78
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid?

The IUPAC name of 2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid (CID 158447707) is 2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid.

What is the SMILES notation for 2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid?

The canonical SMILES for 2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid is CCc1ccc(-c2cccc(NC(=O)C(=O)Cc3cccc(-c4c(I)c5cc(C(=O)O)c(O)cc5n4C)c3)c2)o1.Cc1ccc(-c2cccc(NC(=O)C(=O)Cc3cccc(-c4c(I)c5cc(C(=O)O)c(O)cc5n4C)c3)c2)cc1.Cc1cccc(-c2ccc(NC(=O)C(=O)Cc3cccc(-c4c(I)c5cc(C(=O)O)c(O)cc5n4C)c3)cc2)c1.Cn1c(-c2cccc(CC(=O)C(=O)Nc3cccc(-c4ccco4)c3)c2)c(I)c2cc(C(=O)O)c(O)cc21.Cn1c(-c2cccc(CC(=O)C(=O)Nc3cccc(-c4ccsc4)c3)c2)c(I)c2cc(C(=O)O)c(O)cc21.

What is the InChIKey of 2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid?

The InChIKey is HDOYXZFVRMFCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C32H25IN2O5.C31H25IN2O6.C29H21IN2O6.C29H21IN2O5S/c1-18-9-11-20(12-10-18)21-6-4-8-23(15-21)34-31(38)28(37)14-19-5-3-7-22(13-19)30-29(33)24-16-25(32(39)40)27(36)17-26(24)35(30)2;1-18-5-3-7-21(13-18)20-9-11-23(12-10-20)34-31(38)28(37)15-19-6-4-8-22(14-19)30-29(33)24-16-25(32(39)40)27(36)17-26(24)35(30)2;1-3-21-10-11-27(40-21)18-7-5-9-20(14-18)33-30(37)26(36)13-17-6-4-8-19(12-17)29-28(32)22-15-23(31(38)39)25(35)16-24(22)34(29)2;1-32-22-15-23(33)21(29(36)37)14-20(22)26(30)27(32)18-7-2-5-16(11-18)12-24(34)28(35)31-19-8-3-6-17(13-19)25-9-4-10-38-25;1-32-23-14-24(33)22(29(36)37)13-21(23)26(30)27(32)18-6-2-4-16(10-18)11-25(34)28(35)31-20-7-3-5-17(12-20)19-8-9-38-15-19/h3-13,15-17,36H,14H2,1-2H3,(H,34,38)(H,39,40);3-14,16-17,36H,15H2,1-2H3,(H,34,38)(H,39,40);4-12,14-16,35H,3,13H2,1-2H3,(H,33,37)(H,38,39);2-11,13-15,33H,12H2,1H3,(H,31,35)(H,36,37);2-10,12-15,33H,11H2,1H3,(H,31,35)(H,36,37).

What are the key properties of 2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid?

2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid has a molecular weight of 3194.25 g/mol, XLogP of 31.78, 36 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2,3-dioxo-3-(3-thiophen-3-ylanilino)propyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(5-ethylfuran-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;2-[3-[3-[3-(furan-2-yl)anilino]-2,3-dioxopropyl]phenyl]-6-hydroxy-3-iodo-1-methylindole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[3-(4-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid;6-hydroxy-3-iodo-1-methyl-2-[3-[3-[4-(3-methylphenyl)anilino]-2,3-dioxopropyl]phenyl]indole-5-carboxylic acid is sourced from PubChem (CID 158447707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).