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

• ChemBase ID: 644134
• Molecular Formular: C17H21FN4O
• Molecular Mass: 316.3732432
• Monoisotopic Mass: 316.16993953
• SMILES: c12c(n[nH]c1CCN(C2)CC(=O)NC(C)C)c1c(F)cccc1
• Canonical SMILES: CC(NC(=O)CN1CCc2c(C1)c(n[nH]2)c1ccccc1F)C
• InChI: InChI=1S/C17H21FN4O/c1-11(2)19-16(23)10-22-8-7-15-13(9-22)17(21-20-15)12-5-3-4-6-14(12)18/h3-6,11H,7-10H2,1-2H3,(H,19,23)(H,20,21)
• InChIKey: QSUKGJNFOWWEFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.994295
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7916392
• LogD (pH = 7.4): 1.7469006
• Log P: 1.7938921
• Molar Refractivity: 88.5371 cm^3
• Polarizability: 34.394222 Å^3
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.99
• LOG S: -4.06
• Polar Surface Area: 61.02 Å^2
• Rotatable Bonds: 4