7-(2-methoxyethyl)-2-{pyrazolo[1,5-a]pyridine-3-carbonyl}-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 340338
• Molecular Formular: C19H24N4O3
• Molecular Mass: 356.41886
• Monoisotopic Mass: 356.18484065
• SMILES: c1(C(=O)N2CC3(C(=O)N(CCC3)CCOC)CC2)c2n(nc1)cccc2
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)c1cnn2c1cccc2
• InChI: InChI=1S/C19H24N4O3/c1-26-12-11-21-8-4-6-19(18(21)25)7-10-22(14-19)17(24)15-13-20-23-9-3-2-5-16(15)23/h2-3,5,9,13H,4,6-8,10-12,14H2,1H3
• InChIKey: RIECZURPDXETON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-{pyrazolo[1,5-a]pyridine-3-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-{pyrazolo[1,5-a]pyridine-3-carbonyl}-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-methoxyethyl)-2-(pyrazolo[1,5-a]pyridin-3-ylcarbonyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7060981
• LogD (pH = 7.4): 0.7061088
• Log P: 0.7061089
• Molar Refractivity: 108.5061 cm^3
• Polarizability: 37.50901 Å^3
• Polar Surface Area: 67.15 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: -0.03
• LOG S: -3.08
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 4