5-(2-fluorophenyl)-N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 553389
• Molecular Formular: C19H14FN7
• Molecular Mass: 359.3597632
• Monoisotopic Mass: 359.1294717
• SMILES: n12c(nc(cc1NCc1nc3n(c1)cccn3)c1c(F)cccc1)ccn2
• Canonical SMILES: Fc1ccccc1c1cc(NCc2cn3c(n2)nccc3)n2c(n1)ccn2
• InChI: InChI=1S/C19H14FN7/c20-15-5-2-1-4-14(15)16-10-18(27-17(25-16)6-8-23-27)22-11-13-12-26-9-3-7-21-19(26)24-13/h1-10,12,22H,11H2
• InChIKey: JQTKLEWSLDVPSY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)-N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(2-fluorophenyl)-N-{imidazo[1,2-a]pyrimidin-2-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(2-fluorophenyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.029598
• LogD (pH = 7.4): 2.0307982
• Log P: 2.0308135
• Molar Refractivity: 111.0233 cm^3
• Polarizability: 37.641994 Å^3
• Polar Surface Area: 72.41 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: 2.71
• LOG S: -4.13
• Polar Surface Area: 72.41 Å^2
• Rotatable Bonds: 4