N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxamide

• ChemBase ID: 744097
• Molecular Formular: C17H17N5O2
• Molecular Mass: 323.34918
• Monoisotopic Mass: 323.13822481
• SMILES: c1([nH]n(c(=O)c1)c1ccccc1)C(=O)Nc1n2c(nc1)CCCC2
• Canonical SMILES: O=C(c1[nH]n(c(=O)c1)c1ccccc1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H17N5O2/c23-16-10-13(20-22(16)12-6-2-1-3-7-12)17(24)19-15-11-18-14-8-4-5-9-21(14)15/h1-3,6-7,10-11,20H,4-5,8-9H2,(H,19,24)
• InChIKey: CPOOOZZWBIAKDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazole-3-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-5-oxo-1-phenyl-2H-pyrazole-3-carboxamide
• Synonyms: 5-oxo-1-phenyl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-2,5-dihydro-1H-pyrazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.3088017
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.48920345
• LogD (pH = 7.4): -0.12961565
• Log P: -0.41716632
• Molar Refractivity: 100.9403 cm^3
• Polarizability: 33.166935 Å^3
• Polar Surface Area: 79.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.42
• LOG S: -2.77
• Polar Surface Area: 84.71 Å^2
• Rotatable Bonds: 3