N-[2-(oxolan-2-ylmethoxy)phenyl]-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide

• ChemBase ID: 777231
• Molecular Formular: C18H22N4O3
• Molecular Mass: 342.39228
• Monoisotopic Mass: 342.16919058
• SMILES: C(=O)(N1Cc2c(n[nH]c2)CC1)Nc1c(OCC2OCCC2)cccc1
• Canonical SMILES: O=C(N1CCc2c(C1)c[nH]n2)Nc1ccccc1OCC1CCCO1
• InChI: InChI=1S/C18H22N4O3/c23-18(22-8-7-15-13(11-22)10-19-21-15)20-16-5-1-2-6-17(16)25-12-14-4-3-9-24-14/h1-2,5-6,10,14H,3-4,7-9,11-12H2,(H,19,21)(H,20,23)
• InChIKey: WTFVFGLAPPURHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(oxolan-2-ylmethoxy)phenyl]-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide
• IUPAC Traditional name: N-[2-(oxolan-2-ylmethoxy)phenyl]-2H,4H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide
• Synonyms: N-[2-(tetrahydrofuran-2-ylmethoxy)phenyl]-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.843181
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.6839951
• LogD (pH = 7.4): 1.684034
• Log P: 1.6840496
• Molar Refractivity: 95.1408 cm^3
• Polarizability: 35.57051 Å^3
• Polar Surface Area: 79.48 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.63
• LOG S: -2.23
• Polar Surface Area: 79.48 Å^2
• Rotatable Bonds: 4