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

• ChemBase ID: 679133
• Molecular Formular: C20H20N4O4
• Molecular Mass: 380.3972
• Monoisotopic Mass: 380.14845514
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)COc1ccc(NC(=O)c2occc2)cc1
• Canonical SMILES: O=C(Nc1cnc2n1CCCC2)COc1ccc(cc1)NC(=O)c1ccco1
• InChI: InChI=1S/C20H20N4O4/c25-19(23-18-12-21-17-5-1-2-10-24(17)18)13-28-15-8-6-14(7-9-15)22-20(26)16-4-3-11-27-16/h3-4,6-9,11-12H,1-2,5,10,13H2,(H,22,26)(H,23,25)
• InChIKey: HBRXSDBPDRBCPR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[({5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}carbamoyl)methoxy]phenyl}furan-2-carboxamide
• IUPAC Traditional name: N-{4-[({5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}carbamoyl)methoxy]phenyl}furan-2-carboxamide
• Synonyms: N-{4-[2-oxo-2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylamino)ethoxy]phenyl}-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.561815
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2008983
• LogD (pH = 7.4): 1.8401166
• Log P: 1.8691247
• Molar Refractivity: 103.8493 cm^3
• Polarizability: 38.30922 Å^3
• Polar Surface Area: 98.39 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.11
• LOG S: -3.77
• Polar Surface Area: 98.39 Å^2
• Rotatable Bonds: 6