3-[(4-{3-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}piperidin-1-yl)methyl]pyridine

• ChemBase ID: 663467
• Molecular Formular: C23H27N5
• Molecular Mass: 373.49398
• Monoisotopic Mass: 373.22664589
• SMILES: c12c(n[nH]c1CCN(C2)C1CCN(Cc2cnccc2)CC1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)c1n[nH]c2c1CN(CC2)C1CCN(CC1)Cc1cccnc1
• InChI: InChI=1S/C23H27N5/c1-2-6-19(7-3-1)23-21-17-28(14-10-22(21)25-26-23)20-8-12-27(13-9-20)16-18-5-4-11-24-15-18/h1-7,11,15,20H,8-10,12-14,16-17H2,(H,25,26)
• InChIKey: SLYRGKHGDXBOMC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-{3-phenyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}piperidin-1-yl)methyl]pyridine
• IUPAC Traditional name: 3-[(4-{3-phenyl-1H,4H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}piperidin-1-yl)methyl]pyridine
• Synonyms: 3-phenyl-5-[1-(3-pyridinylmethyl)-4-piperidinyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.392977
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.0672185
• LogD (pH = 7.4): 1.2790558
• Log P: 2.5166972
• Molar Refractivity: 114.2566 cm^3
• Polarizability: 44.93539 Å^3
• Polar Surface Area: 48.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.27
• LOG S: -3.38
• Polar Surface Area: 48.05 Å^2
• Rotatable Bonds: 4