N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

• ChemBase ID: 348791
• Molecular Formular: C19H20FN5O
• Molecular Mass: 353.3934032
• Monoisotopic Mass: 353.16518851
• SMILES: c1(nc2n(c1)cccn2)C(=O)NCC(N1CCCC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C(N1CCCC1)CNC(=O)c1cn2c(n1)nccc2
• InChI: InChI=1S/C19H20FN5O/c20-15-6-4-14(5-7-15)17(24-9-1-2-10-24)12-22-18(26)16-13-25-11-3-8-21-19(25)23-16/h3-8,11,13,17H,1-2,9-10,12H2,(H,22,26)
• InChIKey: DMEOAPZQIUBHPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-[2-(4-fluorophenyl)-2-(pyrrolidin-1-yl)ethyl]imidazo[1,2-a]pyrimidine-2-carboxamide
• Synonyms: N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]imidazo[1,2-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.42836
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.450738
• LogD (pH = 7.4): 1.2174188
• Log P: 1.6188457
• Molar Refractivity: 98.452 cm^3
• Polarizability: 36.363796 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.16
• LOG S: -2.77
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 5