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

• ChemBase ID: 493238
• Molecular Formular: C20H21N3O2
• Molecular Mass: 335.39964
• Monoisotopic Mass: 335.16337693
• SMILES: c1(c2n(nc1)cccc2)C(=O)N1CCC(Oc2cc(ccc2)C)CC1
• Canonical SMILES: Cc1cccc(c1)OC1CCN(CC1)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C20H21N3O2/c1-15-5-4-6-17(13-15)25-16-8-11-22(12-9-16)20(24)18-14-21-23-10-3-2-7-19(18)23/h2-7,10,13-14,16H,8-9,11-12H2,1H3
• InChIKey: YLKLODGHWRXNPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(3-methylphenoxy)-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine
• IUPAC Traditional name: 4-(3-methylphenoxy)-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine
• Synonyms: 3-{[4-(3-methylphenoxy)-1-piperidinyl]carbonyl}pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9667974
• LogD (pH = 7.4): 2.9668078
• Log P: 2.966808
• Molar Refractivity: 107.8751 cm^3
• Polarizability: 37.304863 Å^3
• Polar Surface Area: 46.84 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: 2.54
• LOG S: -3.81
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3