N-{1,9-dioxaspiro[5.5]undecan-4-yl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 546504
• Molecular Formular: C17H25N3O3
• Molecular Mass: 319.3987
• Monoisotopic Mass: 319.18959168
• SMILES: c1(c2n(nc1)CCCC2)C(=O)NC1CC2(OCC1)CCOCC2
• Canonical SMILES: O=C(c1cnn2c1CCCC2)NC1CCOC2(C1)CCOCC2
• InChI: InChI=1S/C17H25N3O3/c21-16(14-12-18-20-7-2-1-3-15(14)20)19-13-4-8-23-17(11-13)5-9-22-10-6-17/h12-13H,1-11H2,(H,19,21)
• InChIKey: ONTMRXNJHYYRQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-{1,9-dioxaspiro[5.5]undecan-4-yl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-1,9-dioxaspiro[5.5]undec-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.823065
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.014644174
• LogD (pH = 7.4): 0.014682011
• Log P: 0.01468264
• Molar Refractivity: 98.3202 cm^3
• Polarizability: 32.99951 Å^3
• Polar Surface Area: 65.38 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: 0.8
• LOG S: -3.44
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 2