1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-3-(2-methoxyphenoxy)azetidine

• ChemBase ID: 677247
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: c1(n2c(nc(c1)CC)ccn2)N1CC(C1)Oc1c(OC)cccc1
• Canonical SMILES: CCc1cc(N2CC(C2)Oc2ccccc2OC)n2c(n1)ccn2
• InChI: InChI=1S/C18H20N4O2/c1-3-13-10-18(22-17(20-13)8-9-19-22)21-11-14(12-21)24-16-7-5-4-6-15(16)23-2/h4-10,14H,3,11-12H2,1-2H3
• InChIKey: SRRBUGRQYRQBRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-3-(2-methoxyphenoxy)azetidine
• IUPAC Traditional name: 1-{5-ethylpyrazolo[1,5-a]pyrimidin-7-yl}-3-(2-methoxyphenoxy)azetidine
• Synonyms: 5-ethyl-7-[3-(2-methoxyphenoxy)azetidin-1-yl]pyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.056788
• LogD (pH = 7.4): 3.0568335
• Log P: 3.056834
• Molar Refractivity: 101.3905 cm^3
• Polarizability: 34.71542 Å^3
• Polar Surface Area: 51.89 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.45
• LOG S: -3.66
• Polar Surface Area: 51.89 Å^2
• Rotatable Bonds: 5