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

• ChemBase ID: 761780
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c(occ1)COc1ccc(cc1)C
• Canonical SMILES: Cc1ccc(cc1)OCc1occc1C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C20H21N3O3/c1-14-5-7-15(8-6-14)26-13-17-16(9-11-25-17)20(24)22-19-12-21-18-4-2-3-10-23(18)19/h5-9,11-12H,2-4,10,13H2,1H3,(H,22,24)
• InChIKey: APZJDJMYFGOQFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(4-methylphenoxymethyl)furan-3-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-2-(4-methylphenoxymethyl)furan-3-carboxamide
• Synonyms: 2-[(4-methylphenoxy)methyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.775026
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5305533
• LogD (pH = 7.4): 3.166004
• Log P: 3.1947339
• Molar Refractivity: 99.1412 cm^3
• Polarizability: 36.98569 Å^3
• Polar Surface Area: 69.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.0
• LOG S: -4.32
• Polar Surface Area: 69.29 Å^2
• Rotatable Bonds: 5