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

• ChemBase ID: 612195
• Molecular Formular: C16H12FN5S
• Molecular Mass: 325.3633832
• Monoisotopic Mass: 325.07974463
• SMILES: n12c(nc(cc1NCc1nccs1)c1c(F)cccc1)ccn2
• Canonical SMILES: Fc1ccccc1c1cc(NCc2nccs2)n2c(n1)ccn2
• InChI: InChI=1S/C16H12FN5S/c17-12-4-2-1-3-11(12)13-9-15(19-10-16-18-7-8-23-16)22-14(21-13)5-6-20-22/h1-9,19H,10H2
• InChIKey: DHCFBBLGLNUFFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8470192
• LogD (pH = 7.4): 2.8472488
• Log P: 2.8472517
• Molar Refractivity: 97.3493 cm^3
• Polarizability: 33.34864 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: 3.58
• LOG S: -4.63
• Polar Surface Area: 55.11 Å^2
• Rotatable Bonds: 4