N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1-(4-methylphenyl)cyclopropane-1-carboxamide

• ChemBase ID: 581203
• Molecular Formular: C18H21N3O
• Molecular Mass: 295.37884
• Monoisotopic Mass: 295.16846231
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1(CC1)c1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)C1(CC1)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H21N3O/c1-13-5-7-14(8-6-13)18(9-10-18)17(22)20-16-12-19-15-4-2-3-11-21(15)16/h5-8,12H,2-4,9-11H2,1H3,(H,20,22)
• InChIKey: NUODIGPTDIFMIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1-(4-methylphenyl)cyclopropane-1-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-1-(4-methylphenyl)cyclopropane-1-carboxamide
• Synonyms: 1-(4-methylphenyl)-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.529837
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.5067754
• LogD (pH = 7.4): 3.1531253
• Log P: 3.1831255
• Molar Refractivity: 86.9992 cm^3
• Polarizability: 32.812206 Å^3
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.72
• LOG S: -3.68
• Polar Surface Area: 46.92 Å^2
• Rotatable Bonds: 3