2-(2-methoxyphenyl)-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}pyrrolidine

• ChemBase ID: 533811
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: c1(C(=O)N2C(c3c(OC)cccc3)CCC2)c2n(nc1)CCCC2
• Canonical SMILES: COc1ccccc1C1CCCN1C(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C19H23N3O2/c1-24-18-10-3-2-7-14(18)16-9-6-11-21(16)19(23)15-13-20-22-12-5-4-8-17(15)22/h2-3,7,10,13,16H,4-6,8-9,11-12H2,1H3
• InChIKey: OKHWJYOJUUALGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyphenyl)-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}pyrrolidine
• IUPAC Traditional name: 2-(2-methoxyphenyl)-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}pyrrolidine
• Synonyms: 3-{[2-(2-methoxyphenyl)pyrrolidin-1-yl]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4245462
• LogD (pH = 7.4): 2.4245837
• Log P: 2.4245842
• Molar Refractivity: 104.6633 cm^3
• Polarizability: 35.200863 Å^3
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.79
• LOG S: -3.1
• Polar Surface Area: 47.36 Å^2
• Rotatable Bonds: 3