N-(1-benzofuran-2-ylmethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 706408
• Molecular Formular: C16H14N4O
• Molecular Mass: 278.30856
• Monoisotopic Mass: 278.11676109
• SMILES: n12c(nc(cc1NCc1oc3c(c1)cccc3)C)ccn2
• Canonical SMILES: Cc1cc(NCc2cc3c(o2)cccc3)n2c(n1)ccn2
• InChI: InChI=1S/C16H14N4O/c1-11-8-16(20-15(19-11)6-7-18-20)17-10-13-9-12-4-2-3-5-14(12)21-13/h2-9,17H,10H2,1H3
• InChIKey: NVHPBHHUPWXWMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzofuran-2-ylmethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-(1-benzofuran-2-ylmethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-(1-benzofuran-2-ylmethyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.14996
• LogD (pH = 7.4): 2.150009
• Log P: 2.1500096
• Molar Refractivity: 91.1434 cm^3
• Polarizability: 31.09861 Å^3
• Polar Surface Area: 55.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.12
• LOG S: -5.0
• Polar Surface Area: 55.36 Å^2
• Rotatable Bonds: 3