5-(oxolan-2-ylmethyl)-3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine

• ChemBase ID: 751472
• Molecular Formular: C23H25N3O
• Molecular Mass: 359.4641
• Monoisotopic Mass: 359.19976244
• SMILES: c12c(n[nH]c1CCN(C2)CC1OCCC1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: C1COC(C1)CN1CCc2c(C1)c(n[nH]2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C23H25N3O/c1-2-5-17(6-3-1)18-8-10-19(11-9-18)23-21-16-26(13-12-22(21)24-25-23)15-20-7-4-14-27-20/h1-3,5-6,8-11,20H,4,7,12-16H2,(H,24,25)
• InChIKey: ITWVJCPTDJKPJZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(oxolan-2-ylmethyl)-3-(4-phenylphenyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine
• IUPAC Traditional name: 5-(oxolan-2-ylmethyl)-3-(4-phenylphenyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridine
• Synonyms: 3-biphenyl-4-yl-5-(tetrahydrofuran-2-ylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.391104
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3701845
• LogD (pH = 7.4): 3.1437821
• Log P: 4.048905
• Molar Refractivity: 109.7407 cm^3
• Polarizability: 44.574997 Å^3
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.79
• LOG S: -4.05
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 4