1-(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)piperidin-4-ol

• ChemBase ID: 544462
• Molecular Formular: C18H28N4O2
• Molecular Mass: 332.44052
• Monoisotopic Mass: 332.22122616
• SMILES: c1(C(=O)N2CCC(N3CCC(CC3)O)CC2)c2n(nc1)CCCC2
• Canonical SMILES: OC1CCN(CC1)C1CCN(CC1)C(=O)c1cnn2c1CCCC2
• InChI: InChI=1S/C18H28N4O2/c23-15-6-11-20(12-7-15)14-4-9-21(10-5-14)18(24)16-13-19-22-8-2-1-3-17(16)22/h13-15,23H,1-12H2
• InChIKey: ABJLZLSJJCULLT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)piperidin-4-ol
• IUPAC Traditional name: 1-(1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperidin-4-yl)piperidin-4-ol
• Synonyms: 1'-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylcarbonyl)-1,4'-bipiperidin-4-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.179258
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.4658797
• LogD (pH = 7.4): -1.8743147
• Log P: -0.26291648
• Molar Refractivity: 105.5517 cm^3
• Polarizability: 35.57384 Å^3
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.38
• LOG S: -2.61
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 2