5-(4-fluorophenyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 692629
• Molecular Formular: C17H13FN4O
• Molecular Mass: 308.3097232
• Monoisotopic Mass: 308.10733928
• SMILES: n12c(nc(cc1NCc1occc1)c1ccc(cc1)F)ccn2
• Canonical SMILES: Fc1ccc(cc1)c1cc(NCc2ccco2)n2c(n1)ccn2
• InChI: InChI=1S/C17H13FN4O/c18-13-5-3-12(4-6-13)15-10-17(19-11-14-2-1-9-23-14)22-16(21-15)7-8-20-22/h1-10,19H,11H2
• InChIKey: CGRRJOGSIGLAIK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(4-fluorophenyl)-N-(furan-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(4-fluorophenyl)-N-(2-furylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1755002
• LogD (pH = 7.4): 3.1755385
• Log P: 3.1755393
• Molar Refractivity: 95.2048 cm^3
• Polarizability: 32.417557 Å^3
• Polar Surface Area: 55.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.11
• LOG S: -4.1
• Polar Surface Area: 55.36 Å^2
• Rotatable Bonds: 4