2-{4-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl}ethan-1-amine

• ChemBase ID: 563322
• Molecular Formular: C18H20FN5O
• Molecular Mass: 341.3827032
• Monoisotopic Mass: 341.16518851
• SMILES: c1(n2c(nc(c1)c1c(F)cccc1)ccn2)N1CC(OCC1)CCN
• Canonical SMILES: NCCC1OCCN(C1)c1cc(nc2n1ncc2)c1ccccc1F
• InChI: InChI=1S/C18H20FN5O/c19-15-4-2-1-3-14(15)16-11-18(24-17(22-16)6-8-21-24)23-9-10-25-13(12-23)5-7-20/h1-4,6,8,11,13H,5,7,9-10,12,20H2
• InChIKey: BPJXWUCCIRIWET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl}ethan-1-amine
• IUPAC Traditional name: 2-{4-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]morpholin-2-yl}ethanamine
• Synonyms: (2-{4-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-2-morpholinyl}ethyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.8919205
• LogD (pH = 7.4): -0.42336434
• Log P: 2.1303277
• Molar Refractivity: 103.996 cm^3
• Polarizability: 36.667107 Å^3
• Polar Surface Area: 68.68 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: 1.76
• LOG S: -2.18
• Polar Surface Area: 68.68 Å^2
• Rotatable Bonds: 4