5-methoxy-9-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 866199
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: c1(c2n(nc1)cccc2)C(=O)N1CCC2(CC1)OCCCC2OC
• Canonical SMILES: COC1CCCOC21CCN(CC2)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C18H23N3O3/c1-23-16-6-4-12-24-18(16)7-10-20(11-8-18)17(22)14-13-19-21-9-3-2-5-15(14)21/h2-3,5,9,13,16H,4,6-8,10-12H2,1H3
• InChIKey: NARFDDGUJOLMQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methoxy-9-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 5-methoxy-9-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1-oxa-9-azaspiro[5.5]undecane
• Synonyms: 5-methoxy-9-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-1-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1047087
• LogD (pH = 7.4): 1.1047192
• Log P: 1.1047193
• Molar Refractivity: 101.4695 cm^3
• Polarizability: 35.141228 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.77
• LOG S: -2.26
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 2