N-{1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl}acetamide

• ChemBase ID: 641541
• Molecular Formular: C19H20FN5O
• Molecular Mass: 353.3934032
• Monoisotopic Mass: 353.16518851
• SMILES: c1(n2c(nc(c1)c1c(F)cccc1)ccn2)N1CCC(NC(=O)C)CC1
• Canonical SMILES: CC(=O)NC1CCN(CC1)c1cc(nc2n1ncc2)c1ccccc1F
• InChI: InChI=1S/C19H20FN5O/c1-13(26)22-14-7-10-24(11-8-14)19-12-17(15-4-2-3-5-16(15)20)23-18-6-9-21-25(18)19/h2-6,9,12,14H,7-8,10-11H2,1H3,(H,22,26)
• InChIKey: ZSWKDKMQYXHXOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl}acetamide
• IUPAC Traditional name: N-{1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl}acetamide
• Synonyms: N-{1-[5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-piperidinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.058689
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0560737
• LogD (pH = 7.4): 2.056109
• Log P: 2.0561094
• Molar Refractivity: 107.2617 cm^3
• Polarizability: 37.50225 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.9
• LOG S: -3.4
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 3