(2S)-N1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propane-1,2-diamine

• ChemBase ID: 404175
• Molecular Formular: C15H16FN5
• Molecular Mass: 285.3194432
• Monoisotopic Mass: 285.13897376
• SMILES: n12c(nc(cc1NC[C@@H](N)C)c1c(F)cccc1)ccn2
• Canonical SMILES: C[C@@H](CNc1cc(nc2n1ncc2)c1ccccc1F)N
• InChI: InChI=1S/C15H16FN5/c1-10(17)9-18-15-8-13(11-4-2-3-5-12(11)16)20-14-6-7-19-21(14)15/h2-8,10,18H,9,17H2,1H3/t10-/m0/s1
• InChIKey: LNFPRPNKZHQCHC-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-N1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propane-1,2-diamine
• IUPAC Traditional name: (2S)-N1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]propane-1,2-diamine
• Synonyms: (2S)-N~1~-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-propanediamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.0021192
• LogD (pH = 7.4): -0.3370144
• Log P: 2.0104105
• Molar Refractivity: 90.5699 cm^3
• Polarizability: 31.177101 Å^3
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.46
• LOG S: -2.37
• Polar Surface Area: 68.24 Å^2
• Rotatable Bonds: 4