1-(2-phenoxyethyl)-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine

• ChemBase ID: 493595
• Molecular Formular: C20H22N4O2
• Molecular Mass: 350.41428
• Monoisotopic Mass: 350.17427596
• SMILES: c1(c2n(nc1)cccc2)C(=O)N1CCN(CC1)CCOc1ccccc1
• Canonical SMILES: O=C(c1cnn2c1cccc2)N1CCN(CC1)CCOc1ccccc1
• InChI: InChI=1S/C20H22N4O2/c25-20(18-16-21-24-9-5-4-8-19(18)24)23-12-10-22(11-13-23)14-15-26-17-6-2-1-3-7-17/h1-9,16H,10-15H2
• InChIKey: CUWBRWWTCVNUFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenoxyethyl)-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
• IUPAC Traditional name: 1-(2-phenoxyethyl)-4-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
• Synonyms: 3-{[4-(2-phenoxyethyl)-1-piperazinyl]carbonyl}pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1577362
• LogD (pH = 7.4): 2.2280092
• Log P: 2.2923446
• Molar Refractivity: 111.452 cm^3
• Polarizability: 38.908875 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.63
• LOG S: -3.15
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5