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

• ChemBase ID: 322029
• Molecular Formular: C23H20N4O2
• Molecular Mass: 384.4305
• Monoisotopic Mass: 384.1586259
• SMILES: c12c(n[nH]c2CCN(C(=O)c2c3c(nccc3)ccc2)C1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1c1n[nH]c2c1CN(CC2)C(=O)c1cccc2c1cccn2
• InChI: InChI=1S/C23H20N4O2/c1-29-21-10-3-2-6-17(21)22-18-14-27(13-11-20(18)25-26-22)23(28)16-7-4-9-19-15(16)8-5-12-24-19/h2-10,12H,11,13-14H2,1H3,(H,25,26)
• InChIKey: FHSFXGNYOIITAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(2-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]quinoline
• IUPAC Traditional name: 5-[3-(2-methoxyphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]quinoline
• Synonyms: 5-{[3-(2-methoxyphenyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]carbonyl}quinoline

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.7795925
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0628288
• LogD (pH = 7.4): 3.0641258
• Log P: 3.0641427
• Molar Refractivity: 111.676 cm^3
• Polarizability: 44.48053 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.7
• LOG S: -4.31
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 3