3-fluoro-N-(3-hydroxy-3-phenylpropyl)-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 866285
• Molecular Formular: C19H20FN3O2
• Molecular Mass: 341.3794032
• Monoisotopic Mass: 341.15395512
• SMILES: c1(c(n2c(n1)c(ccc2)C)F)C(=O)N(CCC(c1ccccc1)O)C
• Canonical SMILES: CN(C(=O)c1nc2n(c1F)cccc2C)CCC(c1ccccc1)O
• InChI: InChI=1S/C19H20FN3O2/c1-13-7-6-11-23-17(20)16(21-18(13)23)19(25)22(2)12-10-15(24)14-8-4-3-5-9-14/h3-9,11,15,24H,10,12H2,1-2H3
• InChIKey: WWVDTZGYWJOYBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N-(3-hydroxy-3-phenylpropyl)-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 3-fluoro-N-(3-hydroxy-3-phenylpropyl)-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-fluoro-N-(3-hydroxy-3-phenylpropyl)-N,8-dimethylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.442644
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1422448
• LogD (pH = 7.4): 2.142376
• Log P: 2.1423776
• Molar Refractivity: 95.0888 cm^3
• Polarizability: 35.144 Å^3
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.65
• LOG S: -3.1
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 5