1-(3-methoxybenzoyl)-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine

• ChemBase ID: 495831
• Molecular Formular: C20H20N4O3
• Molecular Mass: 364.3978
• Monoisotopic Mass: 364.15354052
• SMILES: c1(c2n(nc1)cccc2)C(=O)N1CCN(C(=O)c2cc(OC)ccc2)CC1
• Canonical SMILES: COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C20H20N4O3/c1-27-16-6-4-5-15(13-16)19(25)22-9-11-23(12-10-22)20(26)17-14-21-24-8-3-2-7-18(17)24/h2-8,13-14H,9-12H2,1H3
• InChIKey: PDPNODFQFDRKBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-methoxybenzoyl)-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
• IUPAC Traditional name: 1-(3-methoxybenzoyl)-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
• Synonyms: 3-{[4-(3-methoxybenzoyl)-1-piperazinyl]carbonyl}pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5716819
• LogD (pH = 7.4): 1.5716923
• Log P: 1.5716925
• Molar Refractivity: 112.3047 cm^3
• Polarizability: 38.380142 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.46
• LOG S: -2.25
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3