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

• ChemBase ID: 599764
• Molecular Formular: C23H27N3O
• Molecular Mass: 361.47998
• Monoisotopic Mass: 361.2154125
• SMILES: c12c(n[nH]c1CCN(C2)CCCOC)C(c1ccccc1)c1ccccc1
• Canonical SMILES: COCCCN1CCc2c(C1)c(n[nH]2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H27N3O/c1-27-16-8-14-26-15-13-21-20(17-26)23(25-24-21)22(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-7,9-12,22H,8,13-17H2,1H3,(H,24,25)
• InChIKey: HCSHFFQXJUNYPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.3812275
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.9096578
• LogD (pH = 7.4): 2.6827908
• Log P: 3.6054993
• Molar Refractivity: 111.4774 cm^3
• Polarizability: 42.406784 Å^3
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.97
• LOG S: -4.22
• Polar Surface Area: 41.15 Å^2
• Rotatable Bonds: 7