(5-fluoro-7-{pyrazolo[1,5-a]pyrimidin-3-yl}-2,3-dihydro-1-benzofuran-2-yl)methanamine

• ChemBase ID: 572983
• Molecular Formular: C15H13FN4O
• Molecular Mass: 284.2883232
• Monoisotopic Mass: 284.10733928
• SMILES: c1(c2n(nc1)cccn2)c1c2c(cc(c1)F)CC(O2)CN
• Canonical SMILES: NCC1Cc2c(O1)c(cc(c2)F)c1cnn2c1nccc2
• InChI: InChI=1S/C15H13FN4O/c16-10-4-9-5-11(7-17)21-14(9)12(6-10)13-8-19-20-3-1-2-18-15(13)20/h1-4,6,8,11H,5,7,17H2
• InChIKey: SDVGYNZVWJVUGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-fluoro-7-{pyrazolo[1,5-a]pyrimidin-3-yl}-2,3-dihydro-1-benzofuran-2-yl)methanamine
• IUPAC Traditional name: (5-fluoro-7-{pyrazolo[1,5-a]pyrimidin-3-yl}-2,3-dihydro-1-benzofuran-2-yl)methanamine
• Synonyms: 1-(5-fluoro-7-pyrazolo[1,5-a]pyrimidin-3-yl-2,3-dihydro-1-benzofuran-2-yl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.377603
• LogD (pH = 7.4): -0.2922604
• Log P: 1.5879004
• Molar Refractivity: 86.519 cm^3
• Polarizability: 29.914515 Å^3
• Polar Surface Area: 65.44 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.01
• LOG S: -0.27
• Polar Surface Area: 65.44 Å^2
• Rotatable Bonds: 2