1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole

C118H161N19O16 — CID 161196433

About 1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole

1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole (PubChem CID 161196433) has the molecular formula C118H161N19O16 and a molecular weight of 2101.70 g/mol. Its IUPAC name is 1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole.

Molecular Properties

• Compound Name: 1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole
• PubChem CID: 161196433
• Molecular Formula: C118H161N19O16
• Molecular Weight: 2101.70 g/mol
• Exact Mass: 2100.24
• IUPAC Name: 1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole
• SMILES: CC(C)c1cn(C)c2ccc(-n3cncn3)cc12.CCN(C)c1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.CCOc1cc(C(C)C)c2c(c1)cc(C(C)=O)n2CCOC.COCCN(C)c1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.COCCOCCn1c(C(=O)O)cc2cc(C)cc(C(C)C)c21.COCCn1cc(C(=O)O)c2cc(OCCN3CCN(C)CC3)cc(C(C)C)c21.Cc1nnnn1-c1ccc2c(n1)c(C(C)C)cn2C
• InChI: InChI=1S/C22H33N3O4.C18H25NO4.C18H25NO3.C17H24N2O3.C16H22N2O2.C14H16N4.C13H16N6/c1-16(2)18-13-17(29-12-9-24-7-5-23(3)6-8-24)14-19-20(22(26)27)15-25(21(18)19)10-11-28-4;1-12(2)15-10-13(3)9-14-11-16(18(20)21)19(17(14)15)5-6-23-8-7-22-4;1-6-22-15-9-14-10-17(13(4)20)19(7-8-21-5)18(14)16(11-15)12(2)3;1-11(2)14-10-13(18(3)6-7-22-5)8-12-9-15(17(20)21)19(4)16(12)14;1-6-17(4)12-7-11-8-14(16(19)20)18(5)15(11)13(9-12)10(2)3;1-10(2)13-7-17(3)14-5-4-11(6-12(13)14)18-9-15-8-16-18;1-8(2)10-7-18(4)11-5-6-12(14-13(10)11)19-9(3)15-16-17-19/h13-16H,5-12H2,1-4H3,(H,26,27);9-12H,5-8H2,1-4H3,(H,20,21);9-12H,6-8H2,1-5H3;8-11H,6-7H2,1-5H3,(H,20,21);7-10H,6H2,1-5H3,(H,19,20);4-10H,1-3H3;5-8H,1-4H3
• InChIKey: UUKDIQDOMKZBMH-UHFFFAOYSA-N
• XLogP: 21.58
• TPSA: 365.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 38
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2101.70
LogP ≤ 5	21.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole?

The IUPAC name of 1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole (CID 161196433) is 1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole.

What is the SMILES notation for 1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole?

The canonical SMILES for 1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole is CC(C)c1cn(C)c2ccc(-n3cncn3)cc12.CCN(C)c1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.CCOc1cc(C(C)C)c2c(c1)cc(C(C)=O)n2CCOC.COCCN(C)c1cc(C(C)C)c2c(c1)cc(C(=O)O)n2C.COCCOCCn1c(C(=O)O)cc2cc(C)cc(C(C)C)c21.COCCn1cc(C(=O)O)c2cc(OCCN3CCN(C)CC3)cc(C(C)C)c21.Cc1nnnn1-c1ccc2c(n1)c(C(C)C)cn2C.

What is the InChIKey of 1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole?

The InChIKey is UUKDIQDOMKZBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4.C18H25NO4.C18H25NO3.C17H24N2O3.C16H22N2O2.C14H16N4.C13H16N6/c1-16(2)18-13-17(29-12-9-24-7-5-23(3)6-8-24)14-19-20(22(26)27)15-25(21(18)19)10-11-28-4;1-12(2)15-10-13(3)9-14-11-16(18(20)21)19(17(14)15)5-6-23-8-7-22-4;1-6-22-15-9-14-10-17(13(4)20)19(7-8-21-5)18(14)16(11-15)12(2)3;1-11(2)14-10-13(18(3)6-7-22-5)8-12-9-15(17(20)21)19(4)16(12)14;1-6-17(4)12-7-11-8-14(16(19)20)18(5)15(11)13(9-12)10(2)3;1-10(2)13-7-17(3)14-5-4-11(6-12(13)14)18-9-15-8-16-18;1-8(2)10-7-18(4)11-5-6-12(14-13(10)11)19-9(3)15-16-17-19/h13-16H,5-12H2,1-4H3,(H,26,27);9-12H,5-8H2,1-4H3,(H,20,21);9-12H,6-8H2,1-5H3;8-11H,6-7H2,1-5H3,(H,20,21);7-10H,6H2,1-5H3,(H,19,20);4-10H,1-3H3;5-8H,1-4H3.

What are the key properties of 1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole?

1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole has a molecular weight of 2101.70 g/mol, XLogP of 21.58, 38 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-ethoxy-1-(2-methoxyethyl)-7-propan-2-ylindol-2-yl]ethanone;5-[ethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-[2-(2-methoxyethoxy)ethyl]-5-methyl-7-propan-2-ylindole-2-carboxylic acid;5-[2-methoxyethyl(methyl)amino]-1-methyl-7-propan-2-ylindole-2-carboxylic acid;1-(2-methoxyethyl)-5-[2-(4-methylpiperazin-1-yl)ethoxy]-7-propan-2-ylindole-3-carboxylic acid;1-methyl-5-(5-methyltetrazol-1-yl)-3-propan-2-ylpyrrolo[3,2-b]pyridine;1-methyl-3-propan-2-yl-5-(1,2,4-triazol-1-yl)indole is sourced from PubChem (CID 161196433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).