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

• ChemBase ID: 470290
• Molecular Formular: C21H23N3O2
• Molecular Mass: 349.42622
• Monoisotopic Mass: 349.17902699
• SMILES: c1(C(=O)N2CC(COc3ccc(cc3)C)CCC2)c2n(nc1)cccc2
• Canonical SMILES: Cc1ccc(cc1)OCC1CCCN(C1)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C21H23N3O2/c1-16-7-9-18(10-8-16)26-15-17-5-4-11-23(14-17)21(25)19-13-22-24-12-3-2-6-20(19)24/h2-3,6-10,12-13,17H,4-5,11,14-15H2,1H3
• InChIKey: AIMJMKCYZQMKDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4689548
• LogD (pH = 7.4): 3.4689653
• Log P: 3.4689655
• Molar Refractivity: 112.5943 cm^3
• Polarizability: 39.147453 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.89
• LOG S: -4.22
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 4