2-[3-(3-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide

• ChemBase ID: 610030
• Molecular Formular: C17H14FN5O2S
• Molecular Mass: 371.3887632
• Monoisotopic Mass: 371.08522393
• SMILES: c12c(n[nH]c2CCN(C(=O)C(=O)Nc2nccs2)C1)c1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)c1n[nH]c2c1CN(CC2)C(=O)C(=O)Nc1nccs1
• InChI: InChI=1S/C17H14FN5O2S/c18-11-3-1-2-10(8-11)14-12-9-23(6-4-13(12)21-22-14)16(25)15(24)20-17-19-5-7-26-17/h1-3,5,7-8H,4,6,9H2,(H,21,22)(H,19,20,24)
• InChIKey: ZOIZYTUFLCSTMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(3-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide
• IUPAC Traditional name: 2-[3-(3-fluorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxo-N-(1,3-thiazol-2-yl)acetamide
• Synonyms: 2-[3-(3-fluorophenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxo-N-1,3-thiazol-2-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.9349375
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.0895307
• LogD (pH = 7.4): 2.0884223
• Log P: 2.0896256
• Molar Refractivity: 95.5913 cm^3
• Polarizability: 36.076744 Å^3
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.57
• LOG S: -3.24
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 3