N-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 440692
• Molecular Formular: C21H20FN5O
• Molecular Mass: 377.4148032
• Monoisotopic Mass: 377.16518851
• SMILES: c1(c(n(nc1)C)C)C(NC(=O)c1cn2c(nc(c2)c2ccc(cc2)F)cc1)C
• Canonical SMILES: Fc1ccc(cc1)c1cn2c(n1)ccc(c2)C(=O)NC(c1cnn(c1C)C)C
• InChI: InChI=1S/C21H20FN5O/c1-13(18-10-23-26(3)14(18)2)24-21(28)16-6-9-20-25-19(12-27(20)11-16)15-4-7-17(22)8-5-15/h4-13H,1-3H3,(H,24,28)
• InChIKey: TZZNCXXEYKCZTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[1-(1,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.22901
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5868506
• LogD (pH = 7.4): 2.7750502
• Log P: 2.778113
• Molar Refractivity: 117.9766 cm^3
• Polarizability: 40.322643 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.63
• LOG S: -4.2
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 4