6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid

C108H125N17O20 — CID 158716484

About 6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid

6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid (PubChem CID 158716484) has the molecular formula C108H125N17O20 and a molecular weight of 1981.29 g/mol. Its IUPAC name is 6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid
• PubChem CID: 158716484
• Molecular Formula: C108H125N17O20
• Molecular Weight: 1981.29 g/mol
• Exact Mass: 1979.93
• IUPAC Name: 6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid
• SMILES: CCc1c(-c2ccc3c(c2)cc(C2CCNC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN(C)CCN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNCCN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc2n3CCC2N2CCCC2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc2n3CCNC2)[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C23H30N4O4.C23H25N3O4.C22H28N4O4.C21H23N3O4.C19H19N3O4/c1-6-17-20(24-22(29)19(21(17)28)23(30)31)14-7-8-18-15(11-14)12-16(27(18)5)13-26(4)10-9-25(2)3;1-2-15-20(24-22(28)19(21(15)27)23(29)30)13-5-6-16-14(11-13)12-18-17(7-10-26(16)18)25-8-3-4-9-25;1-5-16-19(24-21(28)18(20(16)27)22(29)30)13-6-7-17-14(10-13)11-15(26(17)4)12-23-8-9-25(2)3;1-3-14-18(23-20(26)17(19(14)25)21(27)28)11-4-5-15-13(8-11)9-16(24(15)2)12-6-7-22-10-12;1-2-13-16(21-18(24)15(17(13)23)19(25)26)10-3-4-14-11(7-10)8-12-9-20-5-6-22(12)14/h7-8,11-12H,6,9-10,13H2,1-5H3,(H,30,31)(H2,24,28,29);5-6,11-12,17H,2-4,7-10H2,1H3,(H,29,30)(H2,24,27,28);6-7,10-11,23H,5,8-9,12H2,1-4H3,(H,29,30)(H2,24,27,28);4-5,8-9,12,22H,3,6-7,10H2,1-2H3,(H,27,28)(H2,23,25,26);3-4,7-8,20H,2,5-6,9H2,1H3,(H,25,26)(H2,21,23,24)
• InChIKey: IJJJNWOLXZPAJI-UHFFFAOYSA-N
• XLogP: 12.79
• TPSA: 525.65 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 27
• Rotatable Bonds: 27
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1981.29
LogP ≤ 5	12.79
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid?

The IUPAC name of 6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid (CID 158716484) is 6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(C2CCNC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CN(C)CCN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNCCN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc2n3CCC2N2CCCC2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc2n3CCNC2)[nH]c(=O)c(C(=O)O)c1O.

What is the InChIKey of 6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid?

The InChIKey is IJJJNWOLXZPAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4.C23H25N3O4.C22H28N4O4.C21H23N3O4.C19H19N3O4/c1-6-17-20(24-22(29)19(21(17)28)23(30)31)14-7-8-18-15(11-14)12-16(27(18)5)13-26(4)10-9-25(2)3;1-2-15-20(24-22(28)19(21(15)27)23(29)30)13-5-6-16-14(11-13)12-18-17(7-10-26(16)18)25-8-3-4-9-25;1-5-16-19(24-21(28)18(20(16)27)22(29)30)13-6-7-17-14(10-13)11-15(26(17)4)12-23-8-9-25(2)3;1-3-14-18(23-20(26)17(19(14)25)21(27)28)11-4-5-15-13(8-11)9-16(24(15)2)12-6-7-22-10-12;1-2-13-16(21-18(24)15(17(13)23)19(25)26)10-3-4-14-11(7-10)8-12-9-20-5-6-22(12)14/h7-8,11-12H,6,9-10,13H2,1-5H3,(H,30,31)(H2,24,28,29);5-6,11-12,17H,2-4,7-10H2,1H3,(H,29,30)(H2,24,27,28);6-7,10-11,23H,5,8-9,12H2,1-4H3,(H,29,30)(H2,24,27,28);4-5,8-9,12,22H,3,6-7,10H2,1-2H3,(H,27,28)(H2,23,25,26);3-4,7-8,20H,2,5-6,9H2,1H3,(H,25,26)(H2,21,23,24).

What are the key properties of 6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid?

6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid has a molecular weight of 1981.29 g/mol, XLogP of 12.79, 27 rotatable bonds, 18 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[[2-(dimethylamino)ethylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-[[2-(dimethylamino)ethyl-methylamino]methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1-methyl-2-pyrrolidin-3-ylindol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(3-pyrrolidin-1-yl-2,3-dihydro-1H-pyrrolo[1,2-a]indol-6-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(1,2,3,4-tetrahydropyrazino[1,2-a]indol-8-yl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158716484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).