5-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 572533
• Molecular Formular: C17H14FN5S
• Molecular Mass: 339.3899632
• Monoisotopic Mass: 339.09539469
• SMILES: n12c(nc(cc1NCc1nc(cs1)C)c1ccc(cc1)F)ccn2
• Canonical SMILES: Fc1ccc(cc1)c1cc(NCc2scc(n2)C)n2c(n1)ccn2
• InChI: InChI=1S/C17H14FN5S/c1-11-10-24-17(21-11)9-19-16-8-14(12-2-4-13(18)5-3-12)22-15-6-7-20-23(15)16/h2-8,10,19H,9H2,1H3
• InChIKey: XFUXJVBHMMAJQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(4-fluorophenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9784346
• LogD (pH = 7.4): 2.9786196
• Log P: 2.978622
• Molar Refractivity: 101.9408 cm^3
• Polarizability: 35.095478 Å^3
• Polar Surface Area: 55.11 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: 3.46
• LOG S: -4.63
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4