5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid

C77H64N10O21 — CID 158484357

IUPAC5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3[nH]ccc3c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3cc[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3[nH]ccc3c2)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)CC(=O)N3)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3cc[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/2C16H14N2O4.C15H12N2O5.2C15H12N2O4/c1-2-10-13(18-15(20)12(14(10)19)16(21)22)9-3-4-11-8(7-9)5-6-17-11;1-2-10-13(18-15(20)12(14(10)19)16(21)22)9-4-3-8-5-6-17-11(8)7-9;1-6-12(17-14(20)11(13(6)19)15(21)22)7-2-3-9-8(4-7)5-10(18)16-9;1-7-12(17-14(19)11(13(7)18)15(20)21)9-2-3-10-8(6-9)4-5-16-10;1-7-12(17-14(19)11(13(7)18)15(20)21)9-3-2-8-4-5-16-10(8)6-9/h2*3-7,17H,2H2,1H3,(H,21,22)(H2,18,19,20);2-4H,5H2,1H3,(H,16,18)(H,21,22)(H2,17,19,20);2*2-6,16H,1H3,(H,20,21)(H2,17,18,19)
InChIKeyHHXHPDHBJWLTLM-UHFFFAOYSA-N
MW1465.41 g/mol
LogP10.70
Rot. Bonds12

About 5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid (PubChem CID 158484357) has the molecular formula C77H64N10O21 and a molecular weight of 1465.41 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid
PubChem CID158484357
Molecular FormulaC77H64N10O21
Molecular Weight1465.41 g/mol
Exact Mass1464.42
IUPAC Name5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid
SMILESCCc1c(-c2ccc3[nH]ccc3c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3cc[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3[nH]ccc3c2)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)CC(=O)N3)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3cc[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/2C16H14N2O4.C15H12N2O5.2C15H12N2O4/c1-2-10-13(18-15(20)12(14(10)19)16(21)22)9-3-4-11-8(7-9)5-6-17-11;1-2-10-13(18-15(20)12(14(10)19)16(21)22)9-4-3-8-5-6-17-11(8)7-9;1-6-12(17-14(20)11(13(6)19)15(21)22)7-2-3-9-8(4-7)5-10(18)16-9;1-7-12(17-14(19)11(13(7)18)15(20)21)9-2-3-10-8(6-9)4-5-16-10;1-7-12(17-14(19)11(13(7)18)15(20)21)9-3-2-8-4-5-16-10(8)6-9/h2*3-7,17H,2H2,1H3,(H,21,22)(H2,18,19,20);2-4H,5H2,1H3,(H,16,18)(H,21,22)(H2,17,19,20);2*2-6,16H,1H3,(H,20,21)(H2,17,18,19)
InChIKeyHHXHPDHBJWLTLM-UHFFFAOYSA-N
XLogP10.70
TPSA544.21 Ų
H-Bond Donors20
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001465.41
LogP ≤ 510.70
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1016

Analyze 5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid (CID 158484357) is 5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3[nH]ccc3c2)[nH]c(=O)c(C(=O)O)c1O.CCc1c(-c2ccc3cc[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3[nH]ccc3c2)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3c(c2)CC(=O)N3)[nH]c(=O)c(C(=O)O)c1O.Cc1c(-c2ccc3cc[nH]c3c2)[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid?
The InChIKey is HHXHPDHBJWLTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H14N2O4.C15H12N2O5.2C15H12N2O4/c1-2-10-13(18-15(20)12(14(10)19)16(21)22)9-3-4-11-8(7-9)5-6-17-11;1-2-10-13(18-15(20)12(14(10)19)16(21)22)9-4-3-8-5-6-17-11(8)7-9;1-6-12(17-14(20)11(13(6)19)15(21)22)7-2-3-9-8(4-7)5-10(18)16-9;1-7-12(17-14(19)11(13(7)18)15(20)21)9-2-3-10-8(6-9)4-5-16-10;1-7-12(17-14(19)11(13(7)18)15(20)21)9-3-2-8-4-5-16-10(8)6-9/h2*3-7,17H,2H2,1H3,(H,21,22)(H2,18,19,20);2-4H,5H2,1H3,(H,16,18)(H,21,22)(H2,17,19,20);2*2-6,16H,1H3,(H,20,21)(H2,17,18,19).
What are the key properties of 5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid?
5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid has a molecular weight of 1465.41 g/mol, XLogP of 10.70, 12 rotatable bonds, 20 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-hydroxy-6-(1H-indol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-4-hydroxy-6-(1H-indol-6-yl)-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-5-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-6-(1H-indol-6-yl)-5-methyl-2-oxo-1H-pyridine-3-carboxylic acid;4-hydroxy-5-methyl-2-oxo-6-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 158484357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).