5-[2-(oxan-2-ylmethoxy)ethyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 702852
• Molecular Formular: C14H23N3O2
• Molecular Mass: 265.35132
• Monoisotopic Mass: 265.17902699
• SMILES: c12c([nH]nc2)CCN(C1)CCOCC1OCCCC1
• Canonical SMILES: C1CCC(OC1)COCCN1CCc2c(C1)cn[nH]2
• InChI: InChI=1S/C14H23N3O2/c1-2-7-19-13(3-1)11-18-8-6-17-5-4-14-12(10-17)9-15-16-14/h9,13H,1-8,10-11H2,(H,15,16)
• InChIKey: HEISXRPNRWRCBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[2-(oxan-2-ylmethoxy)ethyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 5-[2-(oxan-2-ylmethoxy)ethyl]-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 5-[2-(tetrahydro-2H-pyran-2-ylmethoxy)ethyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.032011
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0306722
• LogD (pH = 7.4): 0.5130652
• Log P: 0.7661969
• Molar Refractivity: 75.4848 cm^3
• Polarizability: 28.77028 Å^3
• Polar Surface Area: 50.38 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.02
• LOG S: -1.99
• Polar Surface Area: 50.38 Å^2
• Rotatable Bonds: 5