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

• ChemBase ID: 320902
• Molecular Formular: C24H27N3O
• Molecular Mass: 373.49068
• Monoisotopic Mass: 373.2154125
• SMILES: c12c(n[nH]c1CCN(C2)CC1OCCC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: C1COC(C1)CN1CCc2c(C1)c(n[nH]2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H27N3O/c1-3-8-18(9-4-1)23(19-10-5-2-6-11-19)24-21-17-27(14-13-22(21)25-26-24)16-20-12-7-15-28-20/h1-6,8-11,20,23H,7,12-17H2,(H,25,26)
• InChIKey: NHOLWZVCNVOTIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.381203
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8168335
• LogD (pH = 7.4): 3.5259917
• Log P: 4.011104
• Molar Refractivity: 113.8232 cm^3
• Polarizability: 43.515446 Å^3
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.8
• LOG S: -4.16
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 5