5-(4-fluorophenyl)-N-[(3-methylpyridin-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 490107
• Molecular Formular: C19H16FN5
• Molecular Mass: 333.3622432
• Monoisotopic Mass: 333.13897376
• SMILES: n12c(nc(cc1NCc1c(cncc1)C)c1ccc(cc1)F)ccn2
• Canonical SMILES: Fc1ccc(cc1)c1cc(NCc2ccncc2C)n2c(n1)ccn2
• InChI: InChI=1S/C19H16FN5/c1-13-11-21-8-6-15(13)12-22-19-10-17(14-2-4-16(20)5-3-14)24-18-7-9-23-25(18)19/h2-11,22H,12H2,1H3
• InChIKey: CYQIVKQYVZCGAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluorophenyl)-N-[(3-methylpyridin-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(4-fluorophenyl)-N-[(3-methylpyridin-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(4-fluorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 3.1352346
• LogD (pH = 7.4): 3.4056795
• Log P: 3.4110415
• Molar Refractivity: 105.6982 cm^3
• Polarizability: 36.417572 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 1

供应商提供(Chembridge)

• Log P: 2.92
• LOG S: -2.83
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3
• H Donor: 1