5-(4-fluorophenyl)-N-{imidazo[1,2-a]pyridin-2-ylmethyl}pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 700796
• Molecular Formular: C20H15FN6
• Molecular Mass: 358.3717032
• Monoisotopic Mass: 358.13422273
• SMILES: n12c(nc(cc1NCc1nc3n(c1)cccc3)c1ccc(cc1)F)ccn2
• Canonical SMILES: Fc1ccc(cc1)c1cc(NCc2nc3n(c2)cccc3)n2c(n1)ccn2
• InChI: InChI=1S/C20H15FN6/c21-15-6-4-14(5-7-15)17-11-20(27-19(25-17)8-9-23-27)22-12-16-13-26-10-2-1-3-18(26)24-16/h1-11,13,22H,12H2
• InChIKey: UWOPNOBXVSWBAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.4464905
• LogD (pH = 7.4): 2.9689324
• Log P: 2.983068
• Molar Refractivity: 112.1701 cm^3
• Polarizability: 38.50844 Å^3
• Polar Surface Area: 59.52 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: 3.09
• LOG S: -4.45
• Polar Surface Area: 59.52 Å^2
• Rotatable Bonds: 4