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

• ChemBase ID: 649865
• Molecular Formular: C12H17N3O2
• Molecular Mass: 235.28228
• Monoisotopic Mass: 235.1320768
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1COCC1
• Canonical SMILES: O=C(C1COCC1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C12H17N3O2/c16-12(9-4-6-17-8-9)14-11-7-13-10-3-1-2-5-15(10)11/h7,9H,1-6,8H2,(H,14,16)
• InChIKey: LXYKFISBTOWDMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.678648
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.3466576
• LogD (pH = 7.4): 0.30208027
• Log P: 0.33243418
• Molar Refractivity: 63.9585 cm^3
• Polarizability: 24.02974 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.05
• LOG S: -2.27
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 2