7-{pyrazolo[1,5-a]pyridine-7-carbonyl}-2,7-diazaspiro[4.4]nonane-1,3-dione

• ChemBase ID: 615385
• Molecular Formular: C15H14N4O3
• Molecular Mass: 298.29666
• Monoisotopic Mass: 298.10659033
• SMILES: c1(n2c(ccn2)ccc1)C(=O)N1CC2(C(=O)NC(=O)C2)CC1
• Canonical SMILES: O=C1NC(=O)C2(C1)CCN(C2)C(=O)c1cccc2n1ncc2
• InChI: InChI=1S/C15H14N4O3/c20-12-8-15(14(22)17-12)5-7-18(9-15)13(21)11-3-1-2-10-4-6-16-19(10)11/h1-4,6H,5,7-9H2,(H,17,20,22)
• InChIKey: MGVXFNJRCJYODW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{pyrazolo[1,5-a]pyridine-7-carbonyl}-2,7-diazaspiro[4.4]nonane-1,3-dione
• IUPAC Traditional name: 7-{pyrazolo[1,5-a]pyridine-7-carbonyl}-2,7-diazaspiro[4.4]nonane-1,3-dione
• Synonyms: 7-(pyrazolo[1,5-a]pyridin-7-ylcarbonyl)-2,7-diazaspiro[4.4]nonane-1,3-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110259
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.4090865
• LogD (pH = 7.4): -0.40985793
• Log P: -0.4090214
• Molar Refractivity: 87.8659 cm^3
• Polarizability: 29.559383 Å^3
• Polar Surface Area: 83.78 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: -0.92
• LOG S: -2.87
• Polar Surface Area: 83.78 Å^2
• Rotatable Bonds: 1