{1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl}methanol

• ChemBase ID: 861788
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: n12c(N3CC(CO)CCC3)cc(nc1ccn2)COC
• Canonical SMILES: COCc1cc(N2CCCC(C2)CO)n2c(n1)ccn2
• InChI: InChI=1S/C14H20N4O2/c1-20-10-12-7-14(18-13(16-12)4-5-15-18)17-6-2-3-11(8-17)9-19/h4-5,7,11,19H,2-3,6,8-10H2,1H3
• InChIKey: ZCEDAKWMLVBCNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl}methanol
• IUPAC Traditional name: {1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-3-yl}methanol
• Synonyms: {1-[5-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-7-yl]-3-piperidinyl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.430701
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.62773883
• LogD (pH = 7.4): 0.62777275
• Log P: 0.62777317
• Molar Refractivity: 86.9439 cm^3
• Polarizability: 28.855242 Å^3
• Polar Surface Area: 62.89 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: -0.01
• LOG S: -1.21
• Polar Surface Area: 62.89 Å^2
• Rotatable Bonds: 4