1-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}-2-(4-fluorophenyl)piperidine

• ChemBase ID: 691541
• Molecular Formular: C20H21FN4O
• Molecular Mass: 352.4053432
• Monoisotopic Mass: 352.16993953
• SMILES: c12n(nc(c2)C)c(cc(n1)C(=O)N1C(c2ccc(cc2)F)CCCC1)C
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1C(=O)c1cc(C)n2c(n1)cc(n2)C
• InChI: InChI=1S/C20H21FN4O/c1-13-11-19-22-17(12-14(2)25(19)23-13)20(26)24-10-4-3-5-18(24)15-6-8-16(21)9-7-15/h6-9,11-12,18H,3-5,10H2,1-2H3
• InChIKey: QFKZCBUANMSKFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}-2-(4-fluorophenyl)piperidine
• IUPAC Traditional name: 1-{2,7-dimethylpyrazolo[1,5-a]pyrimidine-5-carbonyl}-2-(4-fluorophenyl)piperidine
• Synonyms: 5-{[2-(4-fluorophenyl)-1-piperidinyl]carbonyl}-2,7-dimethylpyrazolo[1,5-a]pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4448667
• LogD (pH = 7.4): 3.4450529
• Log P: 3.445055
• Molar Refractivity: 108.6558 cm^3
• Polarizability: 36.495274 Å^3
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.48
• LOG S: -3.89
• Polar Surface Area: 50.5 Å^2
• Rotatable Bonds: 2