5-(2-fluorophenyl)-N-[2-(propane-2-sulfonyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 444140
• Molecular Formular: C17H19FN4O2S
• Molecular Mass: 362.4217632
• Monoisotopic Mass: 362.12127509
• SMILES: n12c(nc(cc1NCCS(=O)(=O)C(C)C)c1c(F)cccc1)ccn2
• Canonical SMILES: Fc1ccccc1c1cc(NCCS(=O)(=O)C(C)C)n2c(n1)ccn2
• InChI: InChI=1S/C17H19FN4O2S/c1-12(2)25(23,24)10-9-19-17-11-15(13-5-3-4-6-14(13)18)21-16-7-8-20-22(16)17/h3-8,11-12,19H,9-10H2,1-2H3
• InChIKey: DPRCRISNZXGCIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-fluorophenyl)-N-[2-(propane-2-sulfonyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-(2-fluorophenyl)-N-[2-(propane-2-sulfonyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-(2-fluorophenyl)-N-[2-(isopropylsulfonyl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.1482403
• LogD (pH = 7.4): 2.148273
• Log P: 2.1482732
• Molar Refractivity: 105.2701 cm^3
• Polarizability: 37.525517 Å^3
• Polar Surface Area: 76.36 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.61
• LOG S: -4.07
• Polar Surface Area: 76.36 Å^2
• Rotatable Bonds: 6