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

• ChemBase ID: 679034
• Molecular Formular: C19H18N4O2
• Molecular Mass: 334.37182
• Monoisotopic Mass: 334.14297584
• SMILES: c12c(n[nH]c2CCN(C1)C(=O)c1ccncc1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1n[nH]c2c1CN(CC2)C(=O)c1ccncc1
• InChI: InChI=1S/C19H18N4O2/c1-25-15-4-2-3-14(11-15)18-16-12-23(10-7-17(16)21-22-18)19(24)13-5-8-20-9-6-13/h2-6,8-9,11H,7,10,12H2,1H3,(H,21,22)
• InChIKey: PZRDKKBZWOBBTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridine
• IUPAC Traditional name: 4-[3-(3-methoxyphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridine
• Synonyms: 5-isonicotinoyl-3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.022642
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.685928
• LogD (pH = 7.4): 1.6887789
• Log P: 1.6888155
• Molar Refractivity: 95.5978 cm^3
• Polarizability: 36.920784 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: 1.98
• LOG S: -3.85
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 2