2-{pyrazolo[1,5-a]pyridin-7-yl}-1,3-thiazole-4-carboxamide

• ChemBase ID: 716391
• Molecular Formular: C11H8N4OS
• Molecular Mass: 244.27242
• Monoisotopic Mass: 244.0418819
• SMILES: c1(n2c(ccn2)ccc1)c1nc(cs1)C(=O)N
• Canonical SMILES: NC(=O)c1csc(n1)c1cccc2n1ncc2
• InChI: InChI=1S/C11H8N4OS/c12-10(16)8-6-17-11(14-8)9-3-1-2-7-4-5-13-15(7)9/h1-6H,(H2,12,16)
• InChIKey: JUMJYRLGMJIWFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{pyrazolo[1,5-a]pyridin-7-yl}-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: 2-{pyrazolo[1,5-a]pyridin-7-yl}-1,3-thiazole-4-carboxamide
• Synonyms: 2-pyrazolo[1,5-a]pyridin-7-yl-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.251764
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3431706
• LogD (pH = 7.4): 1.3432369
• Log P: 1.3432378
• Molar Refractivity: 84.8718 cm^3
• Polarizability: 24.864092 Å^3
• Polar Surface Area: 73.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.22
• LOG S: -2.02
• Polar Surface Area: 73.28 Å^2
• Rotatable Bonds: 2