sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide

C110H143IN11NaO16 — CID 159113218

About sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide

sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide (PubChem CID 159113218) has the molecular formula C110H143IN11NaO16 and a molecular weight of 2025.31 g/mol. Its IUPAC name is sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide.

Molecular Properties

• Compound Name: sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide
• PubChem CID: 159113218
• Molecular Formula: C110H143IN11NaO16
• Molecular Weight: 2025.31 g/mol
• Exact Mass: 2023.97
• IUPAC Name: sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide
• SMILES: CCOC(=O)c1cc2cc(OC)ccc2[nH]1.CCOC(=O)c1cc2cc(OC)ccc2n1-c1ccc(OCCCN2CCC[C@H]2C)cc1.COc1ccc2c(c1)cc(C(=O)N1CCCC1)n2-c1ccc(OCCCN2CCC[C@H]2C)cc1.COc1ccc2c(c1)cc(C(=O)O)n2-c1ccc(OCCCN2CCC[C@H]2C)cc1.C[C@@H]1CCCN1CCCOc1ccc(I)cc1.N[C@@H]1CCCC[C@H]1N.[Na+].[OH-]
• InChI: InChI=1S/C28H35N3O3.C26H32N2O4.C24H28N2O4.C14H20INO.C12H13NO3.C6H14N2.Na.H2O/c1-21-7-5-16-29(21)17-6-18-34-24-10-8-23(9-11-24)31-26-13-12-25(33-2)19-22(26)20-27(31)28(32)30-14-3-4-15-30;1-4-31-26(29)25-18-20-17-23(30-3)12-13-24(20)28(25)21-8-10-22(11-9-21)32-16-6-15-27-14-5-7-19(27)2;1-17-5-3-12-25(17)13-4-14-30-20-8-6-19(7-9-20)26-22-11-10-21(29-2)15-18(22)16-23(26)24(27)28;1-12-4-2-9-16(12)10-3-11-17-14-7-5-13(15)6-8-14;1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11;7-5-3-1-2-4-6(5)8;;/h8-13,19-21H,3-7,14-18H2,1-2H3;8-13,17-19H,4-7,14-16H2,1-3H3;6-11,15-17H,3-5,12-14H2,1-2H3,(H,27,28);5-8,12H,2-4,9-11H2,1H3;4-7,13H,3H2,1-2H3;5-6H,1-4,7-8H2;;1H2/q;;;;;;+1;/p-1/t21-;19-;17-;12-;;5-,6-;;/m1111.1../s1
• InChIKey: KETJNOWHVRGJKU-PKENRMRDSA-M
• XLogP: 17.73
• TPSA: 309.63 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 33
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2025.31
LogP ≤ 5	17.73
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide?

The IUPAC name of sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide (CID 159113218) is sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide.

What is the SMILES notation for sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide?

The canonical SMILES for sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide is CCOC(=O)c1cc2cc(OC)ccc2[nH]1.CCOC(=O)c1cc2cc(OC)ccc2n1-c1ccc(OCCCN2CCC[C@H]2C)cc1.COc1ccc2c(c1)cc(C(=O)N1CCCC1)n2-c1ccc(OCCCN2CCC[C@H]2C)cc1.COc1ccc2c(c1)cc(C(=O)O)n2-c1ccc(OCCCN2CCC[C@H]2C)cc1.C[C@@H]1CCCN1CCCOc1ccc(I)cc1.N[C@@H]1CCCC[C@H]1N.[Na+].[OH-].

What is the InChIKey of sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide?

The InChIKey is KETJNOWHVRGJKU-PKENRMRDSA-M. The full InChI is InChI=1S/C28H35N3O3.C26H32N2O4.C24H28N2O4.C14H20INO.C12H13NO3.C6H14N2.Na.H2O/c1-21-7-5-16-29(21)17-6-18-34-24-10-8-23(9-11-24)31-26-13-12-25(33-2)19-22(26)20-27(31)28(32)30-14-3-4-15-30;1-4-31-26(29)25-18-20-17-23(30-3)12-13-24(20)28(25)21-8-10-22(11-9-21)32-16-6-15-27-14-5-7-19(27)2;1-17-5-3-12-25(17)13-4-14-30-20-8-6-19(7-9-20)26-22-11-10-21(29-2)15-18(22)16-23(26)24(27)28;1-12-4-2-9-16(12)10-3-11-17-14-7-5-13(15)6-8-14;1-3-16-12(14)11-7-8-6-9(15-2)4-5-10(8)13-11;7-5-3-1-2-4-6(5)8;;/h8-13,19-21H,3-7,14-18H2,1-2H3;8-13,17-19H,4-7,14-16H2,1-3H3;6-11,15-17H,3-5,12-14H2,1-2H3,(H,27,28);5-8,12H,2-4,9-11H2,1H3;4-7,13H,3H2,1-2H3;5-6H,1-4,7-8H2;;1H2/q;;;;;;+1;/p-1/t21-;19-;17-;12-;;5-,6-;;/m1111.1../s1.

What are the key properties of sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide?

sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide has a molecular weight of 2025.31 g/mol, XLogP of 17.73, 33 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;ethyl 5-methoxy-1H-indole-2-carboxylate;ethyl 5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylate;(2R)-1-[3-(4-iodophenoxy)propyl]-2-methylpyrrolidine;5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indole-2-carboxylic acid;[5-methoxy-1-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]indol-2-yl]-pyrrolidin-1-ylmethanone;trans-(1R,2R)-cyclohexane-1,2-diamine;hydroxide is sourced from PubChem (CID 159113218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).