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

• ChemBase ID: 705021
• Molecular Formular: C19H18N4O3
• Molecular Mass: 350.37122
• Monoisotopic Mass: 350.13789046
• SMILES: c12c(n[nH]c2CCN(C(=O)c2[nH]c(=O)ccc2)C1)c1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)c1n[nH]c2c1CN(CC2)C(=O)c1cccc(=O)[nH]1
• InChI: InChI=1S/C19H18N4O3/c1-26-13-5-2-4-12(10-13)18-14-11-23(9-8-15(14)21-22-18)19(25)16-6-3-7-17(24)20-16/h2-7,10H,8-9,11H2,1H3,(H,20,24)(H,21,22)
• InChIKey: ULTBTOFVVLEVOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.567328
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9200322
• LogD (pH = 7.4): 0.91753894
• Log P: 0.9201476
• Molar Refractivity: 99.7911 cm^3
• Polarizability: 37.646397 Å^3
• Polar Surface Area: 87.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.86
• LOG S: -2.49
• Polar Surface Area: 91.08 Å^2
• Rotatable Bonds: 3