5-(2-fluorophenyl)-N-[3-(2-methyl-1H-imidazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 550287
• Molecular Formular: C19H19FN6
• Molecular Mass: 350.3927632
• Monoisotopic Mass: 350.16552286
• SMILES: n12c(nc(cc1NCCCn1c(ncc1)C)c1c(F)cccc1)ccn2
• Canonical SMILES: Fc1ccccc1c1cc(NCCCn2ccnc2C)n2c(n1)ccn2
• InChI: InChI=1S/C19H19FN6/c1-14-21-10-12-25(14)11-4-8-22-19-13-17(15-5-2-3-6-16(15)20)24-18-7-9-23-26(18)19/h2-3,5-7,9-10,12-13,22H,4,8,11H2,1H3
• InChIKey: NLBSZGLCOOYGTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)-N-[3-(2-methyl-1H-imidazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(2-fluorophenyl)-N-[3-(2-methylimidazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(2-fluorophenyl)-N-[3-(2-methyl-1H-imidazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4678546
• LogD (pH = 7.4): 2.2357965
• Log P: 2.4807708
• Molar Refractivity: 109.4479 cm^3
• Polarizability: 37.743557 Å^3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.98
• LOG S: -4.3
• Polar Surface Area: 60.04 Å^2
• Rotatable Bonds: 6