5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid

C32H30N6O7 — CID 118951331

About 5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid

5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (PubChem CID 118951331) has the molecular formula C32H30N6O7 and a molecular weight of 610.63 g/mol. Its IUPAC name is 5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

Molecular Properties

• Compound Name: 5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
• PubChem CID: 118951331
• Molecular Formula: C32H30N6O7
• Molecular Weight: 610.63 g/mol
• Exact Mass: 610.22
• IUPAC Name: 5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid
• SMILES: CCc1c(-c2ccc3c(cnn3C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(cnn2C)c1
• InChI: InChI=1S/C16H15N3O4.C16H15N3O3/c1-3-10-13(18-15(21)12(14(10)20)16(22)23)8-4-5-11-9(6-8)7-17-19(11)2;1-3-9-7-12(16(21)22)15(20)18-14(9)10-4-5-13-11(6-10)8-17-19(13)2/h4-7H,3H2,1-2H3,(H,22,23)(H2,18,20,21);4-8H,3H2,1-2H3,(H,18,20)(H,21,22)
• InChIKey: MYELXGWTEKTLJT-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 196.19 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	610.63
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?

The IUPAC name of 5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid (CID 118951331) is 5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid.

What is the SMILES notation for 5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?

The canonical SMILES for 5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is CCc1c(-c2ccc3c(cnn3C)c2)[nH]c(=O)c(C(=O)O)c1O.CCc1cc(C(=O)O)c(=O)[nH]c1-c1ccc2c(cnn2C)c1.

What is the InChIKey of 5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?

The InChIKey is MYELXGWTEKTLJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4.C16H15N3O3/c1-3-10-13(18-15(21)12(14(10)20)16(22)23)8-4-5-11-9(6-8)7-17-19(11)2;1-3-9-7-12(16(21)22)15(20)18-14(9)10-4-5-13-11(6-10)8-17-19(13)2/h4-7H,3H2,1-2H3,(H,22,23)(H2,18,20,21);4-8H,3H2,1-2H3,(H,18,20)(H,21,22).

What are the key properties of 5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid?

5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid has a molecular weight of 610.63 g/mol, XLogP of 4.08, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-4-hydroxy-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid;5-ethyl-6-(1-methylindazol-5-yl)-2-oxo-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118951331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).