4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C118H151N17O19 — CID 158177154

About 4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 158177154) has the molecular formula C118H151N17O19 and a molecular weight of 2111.61 g/mol. Its IUPAC name is 4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 158177154
• Molecular Formula: C118H151N17O19
• Molecular Weight: 2111.61 g/mol
• Exact Mass: 2110.14
• IUPAC Name: 4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CCCCCCCNCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)ccc2n1C.CCCCCCNCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)ccc2n1C.CCCCCNCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)ccc2n1C.CCCCNCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)ccc2n1C.CCc1c(-c2ccc3c(c2)cc(CN2CCC(N(C)C)C2)n3C)[nH]c(=O)c(C(=O)O)c1N
• InChI: InChI=1S/C25H33N3O4.C24H31N5O3.C24H31N3O4.C23H29N3O4.C22H27N3O4/c1-4-6-7-8-9-12-26-15-18-14-17-13-16(10-11-20(17)28(18)3)22-19(5-2)23(29)21(25(31)32)24(30)27-22;1-5-18-21(25)20(24(31)32)23(30)26-22(18)14-6-7-19-15(10-14)11-17(28(19)4)13-29-9-8-16(12-29)27(2)3;1-4-6-7-8-11-25-14-17-13-16-12-15(9-10-19(16)27(17)3)21-18(5-2)22(28)20(24(30)31)23(29)26-21;1-4-6-7-10-24-13-16-12-15-11-14(8-9-18(15)26(16)3)20-17(5-2)21(27)19(23(29)30)22(28)25-20;1-4-6-9-23-12-15-11-14-10-13(7-8-17(14)25(15)3)19-16(5-2)20(26)18(22(28)29)21(27)24-19/h10-11,13-14,26H,4-9,12,15H2,1-3H3,(H,31,32)(H2,27,29,30);6-7,10-11,16H,5,8-9,12-13H2,1-4H3,(H,31,32)(H3,25,26,30);9-10,12-13,25H,4-8,11,14H2,1-3H3,(H,30,31)(H2,26,28,29);8-9,11-12,24H,4-7,10,13H2,1-3H3,(H,29,30)(H2,25,27,28);7-8,10-11,23H,4-6,9,12H2,1-3H3,(H,28,29)(H2,24,26,27)
• InChIKey: FYDGADMIIDOAMJ-UHFFFAOYSA-N
• XLogP: 18.41
• TPSA: 536.99 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 26
• Rotatable Bonds: 44
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2111.61
LogP ≤ 5	18.41
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 158177154) is 4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCCCCCCNCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)ccc2n1C.CCCCCCNCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)ccc2n1C.CCCCCNCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)ccc2n1C.CCCCNCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)ccc2n1C.CCc1c(-c2ccc3c(c2)cc(CN2CCC(N(C)C)C2)n3C)[nH]c(=O)c(C(=O)O)c1N.

What is the InChIKey of 4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is FYDGADMIIDOAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O4.C24H31N5O3.C24H31N3O4.C23H29N3O4.C22H27N3O4/c1-4-6-7-8-9-12-26-15-18-14-17-13-16(10-11-20(17)28(18)3)22-19(5-2)23(29)21(25(31)32)24(30)27-22;1-5-18-21(25)20(24(31)32)23(30)26-22(18)14-6-7-19-15(10-14)11-17(28(19)4)13-29-9-8-16(12-29)27(2)3;1-4-6-7-8-11-25-14-17-13-16-12-15(9-10-19(16)27(17)3)21-18(5-2)22(28)20(24(30)31)23(29)26-21;1-4-6-7-10-24-13-16-12-15-11-14(8-9-18(15)26(16)3)20-17(5-2)21(27)19(23(29)30)22(28)25-20;1-4-6-9-23-12-15-11-14-10-13(7-8-17(14)25(15)3)19-16(5-2)20(26)18(22(28)29)21(27)24-19/h10-11,13-14,26H,4-9,12,15H2,1-3H3,(H,31,32)(H2,27,29,30);6-7,10-11,16H,5,8-9,12-13H2,1-4H3,(H,31,32)(H3,25,26,30);9-10,12-13,25H,4-8,11,14H2,1-3H3,(H,30,31)(H2,26,28,29);8-9,11-12,24H,4-7,10,13H2,1-3H3,(H,29,30)(H2,25,27,28);7-8,10-11,23H,4-6,9,12H2,1-3H3,(H,28,29)(H2,24,26,27).

What are the key properties of 4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 2111.61 g/mol, XLogP of 18.41, 44 rotatable bonds, 19 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-6-[2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(butylaminomethyl)-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(heptylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-[2-[(hexylamino)methyl]-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(pentylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158177154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).