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

• ChemBase ID: 525812
• Molecular Formular: C25H23FN4O2
• Molecular Mass: 430.4741232
• Monoisotopic Mass: 430.18050422
• SMILES: c1(c2n(nc1)cccn2)C(=O)N(C1CC1)Cc1ccc(cc1)OCCc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CCOc1ccc(cc1)CN(C(=O)c1cnn2c1nccc2)C1CC1
• InChI: InChI=1S/C25H23FN4O2/c26-20-6-2-18(3-7-20)12-15-32-22-10-4-19(5-11-22)17-29(21-8-9-21)25(31)23-16-28-30-14-1-13-27-24(23)30/h1-7,10-11,13-14,16,21H,8-9,12,15,17H2
• InChIKey: GKRAUYSKVHCCPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.1391644
• LogD (pH = 7.4): 4.139168
• Log P: 4.139168
• Molar Refractivity: 130.5164 cm^3
• Polarizability: 44.997337 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.29
• LOG S: -6.08
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 8