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

• ChemBase ID: 536614
• Molecular Formular: C17H14FN5S
• Molecular Mass: 339.3899632
• Monoisotopic Mass: 339.09539469
• SMILES: n12c(nc(cc1NCCc1nccs1)c1c(F)cccc1)ccn2
• Canonical SMILES: Fc1ccccc1c1cc(NCCc2nccs2)n2c(n1)ccn2
• InChI: InChI=1S/C17H14FN5S/c18-13-4-2-1-3-12(13)14-11-16(23-15(22-14)5-8-21-23)19-7-6-17-20-9-10-24-17/h1-5,8-11,19H,6-7H2
• InChIKey: FUBQVQTYEXALHO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.081453
• LogD (pH = 7.4): 3.084229
• Log P: 3.0842645
• Molar Refractivity: 102.0487 cm^3
• Polarizability: 35.10602 Å^3
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.88
• LOG S: -4.99
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 5