3-(2,5-dimethoxyphenyl)-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}pyrrolidine

• ChemBase ID: 670069
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: c1(C(=O)N2CC(c3c(ccc(c3)OC)OC)CC2)c2n(nc1)cccc2
• Canonical SMILES: COc1ccc(cc1C1CCN(C1)C(=O)c1cnn2c1cccc2)OC
• InChI: InChI=1S/C20H21N3O3/c1-25-15-6-7-19(26-2)16(11-15)14-8-10-22(13-14)20(24)17-12-21-23-9-4-3-5-18(17)23/h3-7,9,11-12,14H,8,10,13H2,1-2H3
• InChIKey: OZJJWGNIEHPMLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2,5-dimethoxyphenyl)-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}pyrrolidine
• IUPAC Traditional name: 3-(2,5-dimethoxyphenyl)-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}pyrrolidine
• Synonyms: 3-{[3-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]carbonyl}pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3903966
• LogD (pH = 7.4): 2.390407
• Log P: 2.390407
• Molar Refractivity: 109.8837 cm^3
• Polarizability: 38.05323 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.81
• LOG S: -3.31
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 4