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

• ChemBase ID: 510754
• Molecular Formular: C20H21N3O
• Molecular Mass: 319.40024
• Monoisotopic Mass: 319.16846231
• SMILES: c1(C(=O)N2CC(c3c(C)cccc3)CCC2)c2n(nc1)cccc2
• Canonical SMILES: Cc1ccccc1C1CCCN(C1)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C20H21N3O/c1-15-7-2-3-9-17(15)16-8-6-11-22(14-16)20(24)18-13-21-23-12-5-4-10-19(18)23/h2-5,7,9-10,12-13,16H,6,8,11,14H2,1H3
• InChIKey: CQHHRNWUJWDFBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methylphenyl)-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine
• IUPAC Traditional name: 3-(2-methylphenyl)-1-{pyrazolo[1,5-a]pyridine-3-carbonyl}piperidine
• Synonyms: 3-{[3-(2-methylphenyl)-1-piperidinyl]carbonyl}pyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.6637292
• LogD (pH = 7.4): 3.6637397
• Log P: 3.6637397
• Molar Refractivity: 106.5995 cm^3
• Polarizability: 36.64036 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.91
• LOG S: -4.01
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 2