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

• ChemBase ID: 627526
• Molecular Formular: C20H20N4O3
• Molecular Mass: 364.3978
• Monoisotopic Mass: 364.15354052
• SMILES: c12c(n[nH]c2CCN(C1)C(=O)c1cc(ncc1)OC)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1n[nH]c2c1CN(CC2)C(=O)c1ccnc(c1)OC
• InChI: InChI=1S/C20H20N4O3/c1-26-15-5-3-4-13(10-15)19-16-12-24(9-7-17(16)22-23-19)20(25)14-6-8-21-18(11-14)27-2/h3-6,8,10-11H,7,9,12H2,1-2H3,(H,22,23)
• InChIKey: JWLSUOHFZDZGFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-4-[3-(3-methoxyphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridine
• IUPAC Traditional name: 2-methoxy-4-[3-(3-methoxyphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carbonyl]pyridine
• Synonyms: 5-(2-methoxyisonicotinoyl)-3-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.022642
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.125495
• LogD (pH = 7.4): 2.1256003
• Log P: 2.1256018
• Molar Refractivity: 102.3745 cm^3
• Polarizability: 39.44144 Å^3
• Polar Surface Area: 80.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.75
• LOG S: -4.21
• Polar Surface Area: 80.34 Å^2
• Rotatable Bonds: 4