N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 452434
• Molecular Formular: C28H24FN5O2
• Molecular Mass: 481.5208632
• Monoisotopic Mass: 481.19140325
• SMILES: c1(c2n(nc1)cccn2)C(=O)N(Cc1cc(OCCc2ccc(F)cc2)ccc1)Cc1ccncc1
• Canonical SMILES: Fc1ccc(cc1)CCOc1cccc(c1)CN(C(=O)c1cnn2c1nccc2)Cc1ccncc1
• InChI: InChI=1S/C28H24FN5O2/c29-24-7-5-21(6-8-24)11-16-36-25-4-1-3-23(17-25)20-33(19-22-9-13-30-14-10-22)28(35)26-18-32-34-15-2-12-31-27(26)34/h1-10,12-15,17-18H,11,16,19-20H2
• InChIKey: CXNPQWNEORNDMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-N-(4-pyridinylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 4.070803
• LogD (pH = 7.4): 4.1787844
• Log P: 4.1804037
• Molar Refractivity: 145.7609 cm^3
• Polarizability: 50.7284 Å^3
• Polar Surface Area: 72.62 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: 3.58
• LOG S: -6.19
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 9