3-(2-methoxyphenoxy)-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}azetidine

• ChemBase ID: 660309
• Molecular Formular: C18H21N3O3
• Molecular Mass: 327.37764
• Monoisotopic Mass: 327.15829155
• SMILES: c1(C(=O)N2CC(C2)Oc2c(OC)cccc2)c2n(nc1)CCCC2
• Canonical SMILES: COc1ccccc1OC1CN(C1)C(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C18H21N3O3/c1-23-16-7-2-3-8-17(16)24-13-11-20(12-13)18(22)14-10-19-21-9-5-4-6-15(14)21/h2-3,7-8,10,13H,4-6,9,11-12H2,1H3
• InChIKey: FFWRJMARDUBFET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenoxy)-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}azetidine
• IUPAC Traditional name: 3-(2-methoxyphenoxy)-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}azetidine
• Synonyms: 3-{[3-(2-methoxyphenoxy)azetidin-1-yl]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7668003
• LogD (pH = 7.4): 1.7668378
• Log P: 1.7668383
• Molar Refractivity: 101.0929 cm^3
• Polarizability: 34.062927 Å^3
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.97
• LOG S: -2.42
• Polar Surface Area: 56.59 Å^2
• Rotatable Bonds: 4