6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

C112H126N18O20 — CID 158370903

About 6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid

6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 158370903) has the molecular formula C112H126N18O20 and a molecular weight of 2044.35 g/mol. Its IUPAC name is 6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 158370903
• Molecular Formula: C112H126N18O20
• Molecular Weight: 2044.35 g/mol
• Exact Mass: 2042.94
• IUPAC Name: 6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: C=CCNCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)ccc2n1C.CCc1c(-c2ccc3c(c2)cc(CNC(C)c2cccnc2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNC2(C)CCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNC2CN(C)C2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNC2CNC2)n3C)[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/C25H26N4O4.C23H27N3O4.C22H26N4O4.C21H24N4O4.C21H23N3O4/c1-4-19-22(28-24(31)21(23(19)30)25(32)33)15-7-8-20-17(10-15)11-18(29(20)3)13-27-14(2)16-6-5-9-26-12-16;1-4-16-19(25-21(28)18(20(16)27)22(29)30)13-6-7-17-14(10-13)11-15(26(17)3)12-24-23(2)8-5-9-23;1-4-16-19(24-21(28)18(20(16)27)22(29)30)12-5-6-17-13(7-12)8-15(26(17)3)9-23-14-10-25(2)11-14;1-3-15-18(24-20(27)17(19(15)26)21(28)29)11-4-5-16-12(6-11)7-14(25(16)2)10-23-13-8-22-9-13;1-4-8-22-11-14-10-13-9-12(6-7-16(13)24(14)3)18-15(5-2)19(25)17(21(27)28)20(26)23-18/h5-12,14,27H,4,13H2,1-3H3,(H,32,33)(H2,28,30,31);6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H,29,30)(H2,25,27,28);5-8,14,23H,4,9-11H2,1-3H3,(H,29,30)(H2,24,27,28);4-7,13,22-23H,3,8-10H2,1-2H3,(H,28,29)(H2,24,26,27);4,6-7,9-10,22H,1,5,8,11H2,2-3H3,(H,27,28)(H2,23,25,26)
• InChIKey: GUPFXBAYSWVUKN-UHFFFAOYSA-N
• XLogP: 13.52
• TPSA: 564.91 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2044.35
LogP ≤ 5	13.52
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid (CID 158370903) is 6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is C=CCNCc1cc2cc(-c3[nH]c(=O)c(C(=O)O)c(O)c3CC)ccc2n1C.CCc1c(-c2ccc3c(c2)cc(CNC(C)c2cccnc2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNC2(C)CCC2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNC2CN(C)C2)n3C)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c(c2)cc(CNC2CNC2)n3C)[nH]c(=O)c(C(=O)O)c1O.

What is the InChIKey of 6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is GUPFXBAYSWVUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O4.C23H27N3O4.C22H26N4O4.C21H24N4O4.C21H23N3O4/c1-4-19-22(28-24(31)21(23(19)30)25(32)33)15-7-8-20-17(10-15)11-18(29(20)3)13-27-14(2)16-6-5-9-26-12-16;1-4-16-19(25-21(28)18(20(16)27)22(29)30)13-6-7-17-14(10-13)11-15(26(17)3)12-24-23(2)8-5-9-23;1-4-16-19(24-21(28)18(20(16)27)22(29)30)12-5-6-17-13(7-12)8-15(26(17)3)9-23-14-10-25(2)11-14;1-3-15-18(24-20(27)17(19(15)26)21(28)29)11-4-5-16-12(6-11)7-14(25(16)2)10-23-13-8-22-9-13;1-4-8-22-11-14-10-13-9-12(6-7-16(13)24(14)3)18-15(5-2)19(25)17(21(27)28)20(26)23-18/h5-12,14,27H,4,13H2,1-3H3,(H,32,33)(H2,28,30,31);6-7,10-11,24H,4-5,8-9,12H2,1-3H3,(H,29,30)(H2,25,27,28);5-8,14,23H,4,9-11H2,1-3H3,(H,29,30)(H2,24,27,28);4-7,13,22-23H,3,8-10H2,1-2H3,(H,28,29)(H2,24,26,27);4,6-7,9-10,22H,1,5,8,11H2,2-3H3,(H,27,28)(H2,23,25,26).

What are the key properties of 6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid?

6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 2044.35 g/mol, XLogP of 13.52, 32 rotatable bonds, 21 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[(azetidin-3-ylamino)methyl]-1-methylindol-5-yl]-5-ethyl-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylazetidin-3-yl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[[(1-methylcyclobutyl)amino]methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(prop-2-enylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-[1-methyl-2-[(1-pyridin-3-ylethylamino)methyl]indol-5-yl]-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158370903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).