4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C104H118N18O17 — CID 158695715

IUPAC4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1N.CCc1c(-c2ccc3c(c2)cc(CN2CCCC2)n3C)[nH]c(=O)c(C(=O)O)c1N.CCc1c(-c2ccc3c(c2)cc(CN2CCCCC2)n3C)[nH]c(=O)c(C(=O)O)c1N.Cn1c(CN2CCC2)cc2cc(-c3cc(O)c(C(=O)O)c(=O)[nH]3)ccc21.Cn1c(CN2CCCC2)cc2cc(-c3cc(O)c(C(=O)O)c(=O)[nH]3)ccc21
InChIInChI=1S/C23H28N4O3.C22H26N4O3.C20H24N4O3.C20H21N3O4.C19H19N3O4/c1-3-17-20(24)19(23(29)30)22(28)25-21(17)14-7-8-18-15(11-14)12-16(26(18)2)13-27-9-5-4-6-10-27;1-3-16-19(23)18(22(28)29)21(27)24-20(16)13-6-7-17-14(10-13)11-15(25(17)2)12-26-8-4-5-9-26;1-5-14-17(21)16(20(26)27)19(25)22-18(14)11-6-7-15-12(8-11)9-13(24(15)4)10-23(2)3;1-22-14(11-23-6-2-3-7-23)9-13-8-12(4-5-16(13)22)15-10-17(24)18(20(26)27)19(25)21-15;1-21-13(10-22-5-2-6-22)8-12-7-11(3-4-15(12)21)14-9-16(23)17(19(25)26)18(24)20-14/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,29,30)(H3,24,25,28);6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,28,29)(H3,23,24,27);6-9H,5,10H2,1-4H3,(H,26,27)(H3,21,22,25);4-5,8-10H,2-3,6-7,11H2,1H3,(H,26,27)(H2,21,24,25);3-4,7-9H,2,5-6,10H2,1H3,(H,25,26)(H2,20,23,24)
InChIKeyIGXMBBMETMGZNG-UHFFFAOYSA-N
MW1892.20 g/mol
LogP13.45
Rot. Bonds23

About 4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 158695715) has the molecular formula C104H118N18O17 and a molecular weight of 1892.20 g/mol. Its IUPAC name is 4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
PubChem CID158695715
Molecular FormulaC104H118N18O17
Molecular Weight1892.20 g/mol
Exact Mass1890.89
IUPAC Name4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1N.CCc1c(-c2ccc3c(c2)cc(CN2CCCC2)n3C)[nH]c(=O)c(C(=O)O)c1N.CCc1c(-c2ccc3c(c2)cc(CN2CCCCC2)n3C)[nH]c(=O)c(C(=O)O)c1N.Cn1c(CN2CCC2)cc2cc(-c3cc(O)c(C(=O)O)c(=O)[nH]3)ccc21.Cn1c(CN2CCCC2)cc2cc(-c3cc(O)c(C(=O)O)c(=O)[nH]3)ccc21
InChIInChI=1S/C23H28N4O3.C22H26N4O3.C20H24N4O3.C20H21N3O4.C19H19N3O4/c1-3-17-20(24)19(23(29)30)22(28)25-21(17)14-7-8-18-15(11-14)12-16(26(18)2)13-27-9-5-4-6-10-27;1-3-16-19(23)18(22(28)29)21(27)24-20(16)13-6-7-17-14(10-13)11-15(25(17)2)12-26-8-4-5-9-26;1-5-14-17(21)16(20(26)27)19(25)22-18(14)11-6-7-15-12(8-11)9-13(24(15)4)10-23(2)3;1-22-14(11-23-6-2-3-7-23)9-13-8-12(4-5-16(13)22)15-10-17(24)18(20(26)27)19(25)21-15;1-21-13(10-22-5-2-6-22)8-12-7-11(3-4-15(12)21)14-9-16(23)17(19(25)26)18(24)20-14/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,29,30)(H3,24,25,28);6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,28,29)(H3,23,24,27);6-9H,5,10H2,1-4H3,(H,26,27)(H3,21,22,25);4-5,8-10H,2-3,6-7,11H2,1H3,(H,26,27)(H2,21,24,25);3-4,7-9H,2,5-6,10H2,1H3,(H,25,26)(H2,20,23,24)
InChIKeyIGXMBBMETMGZNG-UHFFFAOYSA-N
XLogP13.45
TPSA510.17 Ų
H-Bond Donors15
H-Bond Acceptors25
Rotatable Bonds23
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001892.20
LogP ≤ 513.45
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1025

Analyze 4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 158695715) is 4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(c2)cc(CN(C)C)n3C)[nH]c(=O)c(C(=O)O)c1N.CCc1c(-c2ccc3c(c2)cc(CN2CCCC2)n3C)[nH]c(=O)c(C(=O)O)c1N.CCc1c(-c2ccc3c(c2)cc(CN2CCCCC2)n3C)[nH]c(=O)c(C(=O)O)c1N.Cn1c(CN2CCC2)cc2cc(-c3cc(O)c(C(=O)O)c(=O)[nH]3)ccc21.Cn1c(CN2CCCC2)cc2cc(-c3cc(O)c(C(=O)O)c(=O)[nH]3)ccc21.
What is the InChIKey of 4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
The InChIKey is IGXMBBMETMGZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3.C22H26N4O3.C20H24N4O3.C20H21N3O4.C19H19N3O4/c1-3-17-20(24)19(23(29)30)22(28)25-21(17)14-7-8-18-15(11-14)12-16(26(18)2)13-27-9-5-4-6-10-27;1-3-16-19(23)18(22(28)29)21(27)24-20(16)13-6-7-17-14(10-13)11-15(25(17)2)12-26-8-4-5-9-26;1-5-14-17(21)16(20(26)27)19(25)22-18(14)11-6-7-15-12(8-11)9-13(24(15)4)10-23(2)3;1-22-14(11-23-6-2-3-7-23)9-13-8-12(4-5-16(13)22)15-10-17(24)18(20(26)27)19(25)21-15;1-21-13(10-22-5-2-6-22)8-12-7-11(3-4-15(12)21)14-9-16(23)17(19(25)26)18(24)20-14/h7-8,11-12H,3-6,9-10,13H2,1-2H3,(H,29,30)(H3,24,25,28);6-7,10-11H,3-5,8-9,12H2,1-2H3,(H,28,29)(H3,23,24,27);6-9H,5,10H2,1-4H3,(H,26,27)(H3,21,22,25);4-5,8-10H,2-3,6-7,11H2,1H3,(H,26,27)(H2,21,24,25);3-4,7-9H,2,5-6,10H2,1H3,(H,25,26)(H2,20,23,24).
What are the key properties of 4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?
4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 1892.20 g/mol, XLogP of 13.45, 23 rotatable bonds, 15 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-[2-[(dimethylamino)methyl]-1-methylindol-5-yl]-5-ethyl-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(piperidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;4-amino-5-ethyl-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;6-[2-(azetidin-1-ylmethyl)-1-methylindol-5-yl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-[1-methyl-2-(pyrrolidin-1-ylmethyl)indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158695715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).