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

• ChemBase ID: 619467
• Molecular Formular: C13H15N3O2
• Molecular Mass: 245.2771
• Monoisotopic Mass: 245.11642674
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(cco1)C
• Canonical SMILES: O=C(c1occc1C)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C13H15N3O2/c1-9-5-7-18-12(9)13(17)15-11-8-14-10-4-2-3-6-16(10)11/h5,7-8H,2-4,6H2,1H3,(H,15,17)
• InChIKey: AODPZCJCFUYSEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.956035
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.97625494
• LogD (pH = 7.4): 1.6007572
• Log P: 1.6279321
• Molar Refractivity: 68.0654 cm^3
• Polarizability: 24.902454 Å^3
• Polar Surface Area: 60.06 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: 2.03
• LOG S: -2.72
• Polar Surface Area: 60.06 Å^2
• Rotatable Bonds: 2