2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride

C₁₃₀H₁₁₆ClN₁₁O₃₀ — CID 158800190

About 2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride

2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride (PubChem CID 158800190) has the molecular formula C₁₃₀H₁₁₆ClN₁₁O₃₀ and a molecular weight of 2347.86 g/mol. Its IUPAC name is 2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride.

Molecular Properties

• Compound Name: 2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride
• PubChem CID: 158800190
• Molecular Formula: C₁₃₀H₁₁₆ClN₁₁O₃₀
• Molecular Weight: 2347.86 g/mol
• Exact Mass: 2345.76
• IUPAC Name: 2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride
• SMILES: COc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)CC2=O)cc(OC)c1OC.COc1cc(C2=C(c3c[nH]c4cccnc34)C(=O)CC2=O)cc(OC)c1OC.COc1cc(C2=C(c3c[nH]c4ccncc34)C(=O)CC2=O)cc(OC)c1OC.COc1cc(C2=C(c3c[nH]c4cnccc34)C(=O)CC2=O)cc(OC)c1OC.COc1cc(C2=C(c3c[nH]c4ncccc34)C(=O)CC2=O)cc(OC)c1OC.COc1cc(C2=C(c3cn(CC[NH3+])c4ccccc34)C(=O)CC2=O)cc(OC)c1OC.[Cl-]
• InChI: InChI=1S/C24H24N2O5.C22H19NO5.4C21H18N2O5.ClH/c1-29-20-10-14(11-21(30-2)24(20)31-3)22-18(27)12-19(28)23(22)16-13-26(9-8-25)17-7-5-4-6-15(16)17;1-26-18-8-12(9-19(27-2)22(18)28-3)20-16(24)10-17(25)21(20)14-11-23-15-7-5-4-6-13(14)15;1-26-17-6-11(7-18(27-2)21(17)28-3)19-15(24)8-16(25)20(19)13-10-23-14-4-5-22-9-12(13)14;1-26-17-6-11(7-18(27-2)21(17)28-3)19-15(24)8-16(25)20(19)13-9-23-14-10-22-5-4-12(13)14;1-26-16-7-11(8-17(27-2)21(16)28-3)18-14(24)9-15(25)19(18)12-10-23-13-5-4-6-22-20(12)13;1-26-16-7-11(8-17(27-2)20(16)28-3)18-14(24)9-15(25)19(18)13-10-23-21-12(13)5-4-6-22-21;/h4-7,10-11,13H,8-9,12,25H2,1-3H3;4-9,11,23H,10H2,1-3H3;2*4-7,9-10,23H,8H2,1-3H3;4-8,10,23H,9H2,1-3H3;4-8,10H,9H2,1-3H3,(H,22,23);1H
• InChIKey: TZLLOTRMZNNHSF-UHFFFAOYSA-N
• XLogP: 15.18
• TPSA: 534.06 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 32
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2347.86
LogP ≤ 5	15.18
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride?

The IUPAC name of 2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride (CID 158800190) is 2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride.

What is the SMILES notation for 2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride?

The canonical SMILES for 2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride is COc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)CC2=O)cc(OC)c1OC.COc1cc(C2=C(c3c[nH]c4cccnc34)C(=O)CC2=O)cc(OC)c1OC.COc1cc(C2=C(c3c[nH]c4ccncc34)C(=O)CC2=O)cc(OC)c1OC.COc1cc(C2=C(c3c[nH]c4cnccc34)C(=O)CC2=O)cc(OC)c1OC.COc1cc(C2=C(c3c[nH]c4ncccc34)C(=O)CC2=O)cc(OC)c1OC.COc1cc(C2=C(c3cn(CC[NH3+])c4ccccc34)C(=O)CC2=O)cc(OC)c1OC.[Cl-].

What is the InChIKey of 2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride?

The InChIKey is TZLLOTRMZNNHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5.C22H19NO5.4C21H18N2O5.ClH/c1-29-20-10-14(11-21(30-2)24(20)31-3)22-18(27)12-19(28)23(22)16-13-26(9-8-25)17-7-5-4-6-15(16)17;1-26-18-8-12(9-19(27-2)22(18)28-3)20-16(24)10-17(25)21(20)14-11-23-15-7-5-4-6-13(14)15;1-26-17-6-11(7-18(27-2)21(17)28-3)19-15(24)8-16(25)20(19)13-10-23-14-4-5-22-9-12(13)14;1-26-17-6-11(7-18(27-2)21(17)28-3)19-15(24)8-16(25)20(19)13-9-23-14-10-22-5-4-12(13)14;1-26-16-7-11(8-17(27-2)21(16)28-3)18-14(24)9-15(25)19(18)12-10-23-13-5-4-6-22-20(12)13;1-26-16-7-11(8-17(27-2)20(16)28-3)18-14(24)9-15(25)19(18)13-10-23-21-12(13)5-4-6-22-21;/h4-7,10-11,13H,8-9,12,25H2,1-3H3;4-9,11,23H,10H2,1-3H3;2*4-7,9-10,23H,8H2,1-3H3;4-8,10,23H,9H2,1-3H3;4-8,10H,9H2,1-3H3,(H,22,23);1H.

What are the key properties of 2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride?

2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride has a molecular weight of 2347.86 g/mol, XLogP of 15.18, 32 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3,5-dioxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]indol-1-yl]ethylazanium;4-(1H-indol-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-b]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[2,3-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;4-(1H-pyrrolo[3,2-c]pyridin-3-yl)-5-(3,4,5-trimethoxyphenyl)cyclopent-4-ene-1,3-dione;chloride is sourced from PubChem (CID 158800190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158800190 — identifiers, structure, computed properties (public domain)

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