N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 821588
• Molecular Formular: C27H27FN4O3
• Molecular Mass: 474.5266832
• Monoisotopic Mass: 474.20671896
• SMILES: c1(c2n(nc1)cccn2)C(=O)N(Cc1cc(OCCc2c(F)cccc2)ccc1)CC1OCCC1
• Canonical SMILES: Fc1ccccc1CCOc1cccc(c1)CN(C(=O)c1cnn2c1nccc2)CC1CCCO1
• InChI: InChI=1S/C27H27FN4O3/c28-25-10-2-1-7-21(25)11-15-35-22-8-3-6-20(16-22)18-31(19-23-9-4-14-34-23)27(33)24-17-30-32-13-5-12-29-26(24)32/h1-3,5-8,10,12-13,16-17,23H,4,9,11,14-15,18-19H2
• InChIKey: NIQOLEATVNDTTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-({3-[2-(2-fluorophenyl)ethoxy]phenyl}methyl)-N-(oxolan-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-{3-[2-(2-fluorophenyl)ethoxy]benzyl}-N-(tetrahydro-2-furanylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.092189
• LogD (pH = 7.4): 4.092192
• Log P: 4.092192
• Molar Refractivity: 141.5599 cm^3
• Polarizability: 49.38475 Å^3
• Polar Surface Area: 68.96 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 4.66
• LOG S: -6.08
• Polar Surface Area: 68.96 Å^2
• Rotatable Bonds: 9