5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid

C28H32N6O9 — CID 165362798

IUPAC5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid
SMILESCC(C)C1(C)N=C(c2ncc(C(=O)O)cc2C(=O)O)NC1=O.CC(C)C1(C)N=C(c2ncc(CO)cc2C(=O)O)NC1=O
InChIInChI=1S/C14H15N3O5.C14H17N3O4/c1-6(2)14(3)13(22)16-10(17-14)9-8(12(20)21)4-7(5-15-9)11(18)19;1-7(2)14(3)13(21)16-11(17-14)10-9(12(19)20)4-8(6-18)5-15-10/h4-6H,1-3H3,(H,18,19)(H,20,21)(H,16,17,22);4-5,7,18H,6H2,1-3H3,(H,19,20)(H,16,17,21)
InChIKeyXVGWEJUROBRKCS-UHFFFAOYSA-N
MW596.60 g/mol
LogP1.33
Rot. Bonds8

About 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid

5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid (PubChem CID 165362798) has the molecular formula C28H32N6O9 and a molecular weight of 596.60 g/mol. Its IUPAC name is 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid.

Molecular Properties

Compound Name5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid
PubChem CID165362798
Molecular FormulaC28H32N6O9
Molecular Weight596.60 g/mol
Exact Mass596.22
IUPAC Name5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid
SMILESCC(C)C1(C)N=C(c2ncc(C(=O)O)cc2C(=O)O)NC1=O.CC(C)C1(C)N=C(c2ncc(CO)cc2C(=O)O)NC1=O
InChIInChI=1S/C14H15N3O5.C14H17N3O4/c1-6(2)14(3)13(22)16-10(17-14)9-8(12(20)21)4-7(5-15-9)11(18)19;1-7(2)14(3)13(21)16-11(17-14)10-9(12(19)20)4-8(6-18)5-15-10/h4-6H,1-3H3,(H,18,19)(H,20,21)(H,16,17,22);4-5,7,18H,6H2,1-3H3,(H,19,20)(H,16,17,21)
InChIKeyXVGWEJUROBRKCS-UHFFFAOYSA-N
XLogP1.33
TPSA240.83 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.60
LogP ≤ 51.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid?
The IUPAC name of 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid (CID 165362798) is 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid.
What is the SMILES notation for 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid?
The canonical SMILES for 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid is CC(C)C1(C)N=C(c2ncc(C(=O)O)cc2C(=O)O)NC1=O.CC(C)C1(C)N=C(c2ncc(CO)cc2C(=O)O)NC1=O.
What is the InChIKey of 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid?
The InChIKey is XVGWEJUROBRKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5.C14H17N3O4/c1-6(2)14(3)13(22)16-10(17-14)9-8(12(20)21)4-7(5-15-9)11(18)19;1-7(2)14(3)13(21)16-11(17-14)10-9(12(19)20)4-8(6-18)5-15-10/h4-6H,1-3H3,(H,18,19)(H,20,21)(H,16,17,22);4-5,7,18H,6H2,1-3H3,(H,19,20)(H,16,17,21).
What are the key properties of 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid?
5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid has a molecular weight of 596.60 g/mol, XLogP of 1.33, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3,5-dicarboxylic acid is sourced from PubChem (CID 165362798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).