7-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-2,7-diazaspiro[4.4]nonane-1,3-dione

• ChemBase ID: 576236
• Molecular Formular: C15H18N4O3
• Molecular Mass: 302.32842
• Monoisotopic Mass: 302.13789046
• SMILES: c1(C(=O)N2CC3(C(=O)NC(=O)C3)CC2)c2n(nc1)CCCC2
• Canonical SMILES: O=C1NC(=O)C2(C1)CCN(C2)C(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C15H18N4O3/c20-12-7-15(14(22)17-12)4-6-18(9-15)13(21)10-8-16-19-5-2-1-3-11(10)19/h8H,1-7,9H2,(H,17,20,22)
• InChIKey: QGLHNPMXKXMQIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-2,7-diazaspiro[4.4]nonane-1,3-dione
• IUPAC Traditional name: 7-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-2,7-diazaspiro[4.4]nonane-1,3-dione
• Synonyms: 7-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-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): -0.7380287
• LogD (pH = 7.4): -0.73881644
• Log P: -0.7379801
• Molar Refractivity: 89.515 cm^3
• Polarizability: 29.280825 Å^3
• Polar Surface Area: 84.3 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: -0.95
• LOG S: -2.57
• Polar Surface Area: 84.3 Å^2
• Rotatable Bonds: 1