2-{[3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-3-methylpyridine

• ChemBase ID: 700555
• Molecular Formular: C26H26N4
• Molecular Mass: 394.51144
• Monoisotopic Mass: 394.21574685
• SMILES: c12c(n[nH]c1CCN(C2)Cc1ncccc1C)C(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1cccnc1CN1CCc2c(C1)c(n[nH]2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C26H26N4/c1-19-9-8-15-27-24(19)18-30-16-14-23-22(17-30)26(29-28-23)25(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-13,15,25H,14,16-18H2,1H3,(H,28,29)
• InChIKey: ORPFEXFBZYHJBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-3-methylpyridine
• IUPAC Traditional name: 2-{[3-(diphenylmethyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]methyl}-3-methylpyridine
• Synonyms: 3-(diphenylmethyl)-5-[(3-methylpyridin-2-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.381038
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1328979
• LogD (pH = 7.4): 4.5343366
• Log P: 4.694209
• Molar Refractivity: 122.5432 cm^3
• Polarizability: 46.67553 Å^3
• Polar Surface Area: 44.81 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: 4.14
• LOG S: -3.3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 5