5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid

C104H113N15O20 — CID 157139964

About 5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid

5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid (PubChem CID 157139964) has the molecular formula C104H113N15O20 and a molecular weight of 1893.13 g/mol. Its IUPAC name is 5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid
• PubChem CID: 157139964
• Molecular Formula: C104H113N15O20
• Molecular Weight: 1893.13 g/mol
• Exact Mass: 1891.83
• IUPAC Name: 5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid
• SMILES: CCCN1CCc2c([nH]c3cc(-c4[nH]c(=O)c(C(=O)O)c(O)c4CC)ccc23)C1.CCc1c(-c2ccc3c4c([nH]c3c2)CCN(C)C4)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c4c([nH]c3c2)CCNC4)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c4c([nH]c3c2)CN(C(C)C)CC4)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c4c([nH]c3c2)CN(CC)CC4)[nH]c(=O)c(C(=O)O)c1O
• InChI: InChI=1S/2C22H25N3O4.C21H23N3O4.C20H21N3O4.C19H19N3O4/c1-4-13-19(24-21(27)18(20(13)26)22(28)29)12-5-6-14-15-7-8-25(11(2)3)10-17(15)23-16(14)9-12;1-3-8-25-9-7-15-14-6-5-12(10-16(14)23-17(15)11-25)19-13(4-2)20(26)18(22(28)29)21(27)24-19;1-3-12-18(23-20(26)17(19(12)25)21(27)28)11-5-6-13-14-7-8-24(4-2)10-16(14)22-15(13)9-11;1-3-11-17(22-19(25)16(18(11)24)20(26)27)10-4-5-12-13-9-23(2)7-6-14(13)21-15(12)8-10;1-2-10-16(22-18(24)15(17(10)23)19(25)26)9-3-4-11-12-8-20-6-5-13(12)21-14(11)7-9/h5-6,9,11,23H,4,7-8,10H2,1-3H3,(H,28,29)(H2,24,26,27);5-6,10,23H,3-4,7-9,11H2,1-2H3,(H,28,29)(H2,24,26,27);5-6,9,22H,3-4,7-8,10H2,1-2H3,(H,27,28)(H2,23,25,26);4-5,8,21H,3,6-7,9H2,1-2H3,(H,26,27)(H2,22,24,25);3-4,7,20-21H,2,5-6,8H2,1H3,(H,25,26)(H2,22,23,24)
• InChIKey: AKBRGVLBNACTLL-UHFFFAOYSA-N
• XLogP: 13.99
• TPSA: 555.89 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 20
• Rotatable Bonds: 19
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1893.13
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid?

The IUPAC name of 5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid (CID 157139964) is 5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid is CCCN1CCc2c([nH]c3cc(-c4[nH]c(=O)c(C(=O)O)c(O)c4CC)ccc23)C1.CCc1c(-c2ccc3c4c([nH]c3c2)CCN(C)C4)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c4c([nH]c3c2)CCNC4)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c4c([nH]c3c2)CN(C(C)C)CC4)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3c4c([nH]c3c2)CN(CC)CC4)[nH]c(=O)c(C(=O)O)c1O.

What is the InChIKey of 5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid?

The InChIKey is AKBRGVLBNACTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H25N3O4.C21H23N3O4.C20H21N3O4.C19H19N3O4/c1-4-13-19(24-21(27)18(20(13)26)22(28)29)12-5-6-14-15-7-8-25(11(2)3)10-17(15)23-16(14)9-12;1-3-8-25-9-7-15-14-6-5-12(10-16(14)23-17(15)11-25)19-13(4-2)20(26)18(22(28)29)21(27)24-19;1-3-12-18(23-20(26)17(19(12)25)21(27)28)11-5-6-13-14-7-8-24(4-2)10-16(14)22-15(13)9-11;1-3-11-17(22-19(25)16(18(11)24)20(26)27)10-4-5-12-13-9-23(2)7-6-14(13)21-15(12)8-10;1-2-10-16(22-18(24)15(17(10)23)19(25)26)9-3-4-11-12-8-20-6-5-13(12)21-14(11)7-9/h5-6,9,11,23H,4,7-8,10H2,1-3H3,(H,28,29)(H2,24,26,27);5-6,10,23H,3-4,7-9,11H2,1-2H3,(H,28,29)(H2,24,26,27);5-6,9,22H,3-4,7-8,10H2,1-2H3,(H,27,28)(H2,23,25,26);4-5,8,21H,3,6-7,9H2,1-2H3,(H,26,27)(H2,22,24,25);3-4,7,20-21H,2,5-6,8H2,1H3,(H,25,26)(H2,22,23,24).

What are the key properties of 5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid?

5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid has a molecular weight of 1893.13 g/mol, XLogP of 13.99, 19 rotatable bonds, 21 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-6-(2-ethyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-4-hydroxy-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-7-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propan-2-yl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2-propyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-7-yl)-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-2-oxo-6-(2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indol-7-yl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 157139964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).