N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}pyrazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 376657
• Molecular Formular: C19H20FN5O
• Molecular Mass: 353.3934032
• Monoisotopic Mass: 353.16518851
• SMILES: c1(nn2c(c1)nccc2)C(=O)NC1CN(Cc2c(F)cccc2)CCC1
• Canonical SMILES: O=C(c1nn2c(c1)nccc2)NC1CCCN(C1)Cc1ccccc1F
• InChI: InChI=1S/C19H20FN5O/c20-16-7-2-1-5-14(16)12-24-9-3-6-15(13-24)22-19(26)17-11-18-21-8-4-10-25(18)23-17/h1-2,4-5,7-8,10-11,15H,3,6,9,12-13H2,(H,22,26)
• InChIKey: NETUYAPYEGUTPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}pyrazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-{1-[(2-fluorophenyl)methyl]piperidin-3-yl}pyrazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-[1-(2-fluorobenzyl)-3-piperidinyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.009322
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.034318
• LogD (pH = 7.4): 2.340975
• Log P: 2.4645233
• Molar Refractivity: 107.436 cm^3
• Polarizability: 36.345142 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.03
• LOG S: -3.85
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 4