N-[2-(2-fluorophenoxy)ethyl]-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 844336
• Molecular Formular: C16H19FN4O2
• Molecular Mass: 318.3460632
• Monoisotopic Mass: 318.14920409
• SMILES: c12c(n[nH]c1CCN(C2)C)C(=O)NCCOc1c(F)cccc1
• Canonical SMILES: CN1CCc2c(C1)c(n[nH]2)C(=O)NCCOc1ccccc1F
• InChI: InChI=1S/C16H19FN4O2/c1-21-8-6-13-11(10-21)15(20-19-13)16(22)18-7-9-23-14-5-3-2-4-12(14)17/h2-5H,6-10H2,1H3,(H,18,22)(H,19,20)
• InChIKey: TYGOFFKWQDJGPK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-fluorophenoxy)ethyl]-5-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(2-fluorophenoxy)ethyl]-5-methyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N-[2-(2-fluorophenoxy)ethyl]-5-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.022428
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.45081094
• LogD (pH = 7.4): 0.9986636
• Log P: 1.1060438
• Molar Refractivity: 85.9573 cm^3
• Polarizability: 31.72964 Å^3
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.2
• LOG S: -3.0
• Polar Surface Area: 70.25 Å^2
• Rotatable Bonds: 5