1-[3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-ol

• ChemBase ID: 461716
• Molecular Formular: C22H25N3O
• Molecular Mass: 347.4534
• Monoisotopic Mass: 347.19976244
• SMILES: c12c(n[nH]c1CCN(C2)CC(O)C)C(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(CN1CCc2c(C1)c(n[nH]2)C(c1ccccc1)c1ccccc1)O
• InChI: InChI=1S/C22H25N3O/c1-16(26)14-25-13-12-20-19(15-25)22(24-23-20)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,16,21,26H,12-15H2,1H3,(H,23,24)
• InChIKey: QUWGSVZPNRWJCR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(diphenylmethyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-ol
• IUPAC Traditional name: 1-[3-(diphenylmethyl)-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-ol
• Synonyms: 1-[3-(diphenylmethyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]propan-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.330349
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0651253
• LogD (pH = 7.4): 2.79034
• Log P: 3.318988
• Molar Refractivity: 106.2796 cm^3
• Polarizability: 40.48646 Å^3
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.87
• LOG S: -4.03
• Polar Surface Area: 52.15 Å^2
• Rotatable Bonds: 5