4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

C19H15N3O4S — CID 138512697

IUPAC4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3ccccc3)c2)c2ccsc12
InChIInChI=1S/C19H15N3O4S/c23-16-15(19(25)26)17-14(6-7-27-17)22(18(16)24)11-13-8-20-21(10-13)9-12-4-2-1-3-5-12/h1-8,10,23H,9,11H2,(H,25,26)
InChIKeyZVXAMLXNPPRIMC-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.76
Rot. Bonds5

About 4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512697) has the molecular formula C19H15N3O4S and a molecular weight of 381.41 g/mol. Its IUPAC name is 4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512697
Molecular FormulaC19H15N3O4S
Molecular Weight381.41 g/mol
Exact Mass381.08
IUPAC Name4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3ccccc3)c2)c2ccsc12
InChIInChI=1S/C19H15N3O4S/c23-16-15(19(25)26)17-14(6-7-27-17)22(18(16)24)11-13-8-20-21(10-13)9-12-4-2-1-3-5-12/h1-8,10,23H,9,11H2,(H,25,26)
InChIKeyZVXAMLXNPPRIMC-UHFFFAOYSA-N
XLogP2.76
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic 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 4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512697) is 4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cnn(Cc3ccccc3)c2)c2ccsc12.
What is the InChIKey of 4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is ZVXAMLXNPPRIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O4S/c23-16-15(19(25)26)17-14(6-7-27-17)22(18(16)24)11-13-8-20-21(10-13)9-12-4-2-1-3-5-12/h1-8,10,23H,9,11H2,(H,25,26).
What are the key properties of 4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 381.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylpyrazol-4-yl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).