4-[3-(2-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1,2,3-thiadiazole

• ChemBase ID: 746996
• Molecular Formular: C15H12FN5OS
• Molecular Mass: 329.3520832
• Monoisotopic Mass: 329.07465925
• SMILES: c12c(n[nH]c2CCN(C(=O)c2nnsc2)C1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1c1n[nH]c2c1CN(CC2)C(=O)c1csnn1
• InChI: InChI=1S/C15H12FN5OS/c16-11-4-2-1-3-9(11)14-10-7-21(6-5-12(10)17-19-14)15(22)13-8-23-20-18-13/h1-4,8H,5-7H2,(H,17,19)
• InChIKey: ILIHGLJOUDQKIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(2-fluorophenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1,2,3-thiadiazole
• IUPAC Traditional name: 4-[3-(2-fluorophenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]-1,2,3-thiadiazole
• Synonyms: 3-(2-fluorophenyl)-5-(1,2,3-thiadiazol-4-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.335366
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.1814156
• LogD (pH = 7.4): 2.1814482
• Log P: 2.1814492
• Molar Refractivity: 85.4339 cm^3
• Polarizability: 31.972649 Å^3
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.42
• LOG S: -4.18
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 2