4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid

C21H15F2N3O3S — CID 53380413

About 4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid

4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 53380413) has the molecular formula C21H15F2N3O3S and a molecular weight of 427.43 g/mol. Its IUPAC name is 4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

• Compound Name: 4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
• PubChem CID: 53380413
• Molecular Formula: C21H15F2N3O3S
• Molecular Weight: 427.43 g/mol
• Exact Mass: 427.08
• IUPAC Name: 4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid
• SMILES: Cc1ccc(-c2csc(NC(=O)c3cc4cccc(C)n4n3)c2C(=O)O)c(F)c1F
• InChI: InChI=1S/C21H15F2N3O3S/c1-10-6-7-13(18(23)17(10)22)14-9-30-20(16(14)21(28)29)24-19(27)15-8-12-5-3-4-11(2)26(12)25-15/h3-9H,1-2H3,(H,24,27)(H,28,29)
• InChIKey: YOFOGRCHIKSRQR-UHFFFAOYSA-N
• XLogP: 4.91
• TPSA: 83.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.43
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?

The IUPAC name of 4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid (CID 53380413) is 4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid.

What is the SMILES notation for 4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?

The canonical SMILES for 4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is Cc1ccc(-c2csc(NC(=O)c3cc4cccc(C)n4n3)c2C(=O)O)c(F)c1F.

What is the InChIKey of 4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?

The InChIKey is YOFOGRCHIKSRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3O3S/c1-10-6-7-13(18(23)17(10)22)14-9-30-20(16(14)21(28)29)24-19(27)15-8-12-5-3-4-11(2)26(12)25-15/h3-9H,1-2H3,(H,24,27)(H,28,29).

What are the key properties of 4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid?

4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 427.43 g/mol, XLogP of 4.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,3-difluoro-4-methylphenyl)-2-[(7-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 53380413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).