3-[({pyrazolo[1,5-a]pyridin-3-ylmethyl}amino)methyl]piperidin-3-ol

• ChemBase ID: 474807
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: n12c(c(cn1)CNCC1(O)CNCCC1)cccc2
• Canonical SMILES: OC1(CNCc2cnn3c2cccc3)CCCNC1
• InChI: InChI=1S/C14H20N4O/c19-14(5-3-6-15-10-14)11-16-8-12-9-17-18-7-2-1-4-13(12)18/h1-2,4,7,9,15-16,19H,3,5-6,8,10-11H2
• InChIKey: FABNGBZXRSQSGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[({pyrazolo[1,5-a]pyridin-3-ylmethyl}amino)methyl]piperidin-3-ol
• IUPAC Traditional name: 3-[({pyrazolo[1,5-a]pyridin-3-ylmethyl}amino)methyl]piperidin-3-ol
• Synonyms: 3-{[(pyrazolo[1,5-a]pyridin-3-ylmethyl)amino]methyl}piperidin-3-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.05892
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -4.6898017
• LogD (pH = 7.4): -2.3184903
• Log P: 0.39635965
• Molar Refractivity: 85.3434 cm^3
• Polarizability: 29.784279 Å^3
• Polar Surface Area: 61.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.42
• LOG S: -0.45
• Polar Surface Area: 61.59 Å^2
• Rotatable Bonds: 4