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

• ChemBase ID: 678550
• Molecular Formular: C17H17FN4O
• Molecular Mass: 312.3414832
• Monoisotopic Mass: 312.1386394
• SMILES: n12c(nc(cc1NC[C@H]1OCCC1)c1c(F)cccc1)ccn2
• Canonical SMILES: Fc1ccccc1c1cc(NC[C@@H]2CCCO2)n2c(n1)ccn2
• InChI: InChI=1S/C17H17FN4O/c18-14-6-2-1-5-13(14)15-10-17(19-11-12-4-3-9-23-12)22-16(21-15)7-8-20-22/h1-2,5-8,10,12,19H,3-4,9,11H2/t12-/m0/s1
• InChIKey: DTYBLROOUKCELM-LBPRGKRZSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8093722
• LogD (pH = 7.4): 2.809408
• Log P: 2.8094084
• Molar Refractivity: 96.456 cm^3
• Polarizability: 33.299515 Å^3
• Polar Surface Area: 51.45 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: 2.83
• LOG S: -3.9
• Polar Surface Area: 51.45 Å^2
• Rotatable Bonds: 4