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

• ChemBase ID: 490673
• Molecular Formular: C23H23N3O2
• Molecular Mass: 373.44762
• Monoisotopic Mass: 373.17902699
• SMILES: c12c(n[nH]c2CCN(C(=O)C2(CC2)c2ccc(cc2)OC)C1)c1ccccc1
• Canonical SMILES: COc1ccc(cc1)C1(CC1)C(=O)N1CCc2c(C1)c(n[nH]2)c1ccccc1
• InChI: InChI=1S/C23H23N3O2/c1-28-18-9-7-17(8-10-18)23(12-13-23)22(27)26-14-11-20-19(15-26)21(25-24-20)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,24,25)
• InChIKey: GIAJNKKPWXSKNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.066809
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.521835
• LogD (pH = 7.4): 3.5219266
• Log P: 3.521928
• Molar Refractivity: 109.0794 cm^3
• Polarizability: 42.84872 Å^3
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.54
• LOG S: -4.95
• Polar Surface Area: 58.22 Å^2
• Rotatable Bonds: 4