N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 580778
• Molecular Formular: C18H18FN3O
• Molecular Mass: 311.3534232
• Monoisotopic Mass: 311.14339043
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NC(Cc1ccc(F)cc1)(C)C
• Canonical SMILES: Fc1ccc(cc1)CC(NC(=O)c1ccc2n(c1)ccn2)(C)C
• InChI: InChI=1S/C18H18FN3O/c1-18(2,11-13-3-6-15(19)7-4-13)21-17(23)14-5-8-16-20-9-10-22(16)12-14/h3-10,12H,11H2,1-2H3,(H,21,23)
• InChIKey: ODIVYKDCVQJQSI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[2-(4-fluorophenyl)-1,1-dimethylethyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.486917
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.055546
• LogD (pH = 7.4): 2.6620395
• Log P: 2.6868536
• Molar Refractivity: 88.5525 cm^3
• Polarizability: 32.73746 Å^3
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.8
• LOG S: -3.86
• Polar Surface Area: 46.4 Å^2
• Rotatable Bonds: 4