8-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

• ChemBase ID: 792342
• Molecular Formular: C16H18N4O3
• Molecular Mass: 314.33912
• Monoisotopic Mass: 314.13789046
• SMILES: c1(c2n(nc1)cccc2)C(=O)N1CCC2(OC(=O)NC2)CCC1
• Canonical SMILES: O=C1NCC2(O1)CCCN(CC2)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C16H18N4O3/c21-14(12-10-18-20-8-2-1-4-13(12)20)19-7-3-5-16(6-9-19)11-17-15(22)23-16/h1-2,4,8,10H,3,5-7,9,11H2,(H,17,22)
• InChIKey: ORITZOSMHBMFOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• IUPAC Traditional name: 8-{pyrazolo[1,5-a]pyridine-3-carbonyl}-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
• Synonyms: 8-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-1-oxa-3,8-diazaspiro[4.6]undecan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.598441
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.72008675
• LogD (pH = 7.4): 0.7200948
• Log P: 0.7200974
• Molar Refractivity: 93.8641 cm^3
• Polarizability: 32.003853 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.29
• LOG S: -3.05
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 1