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

• ChemBase ID: 821543
• Molecular Formular: C16H17N3O2
• Molecular Mass: 283.32508
• Monoisotopic Mass: 283.1320768
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1c2OCCc2ccc1
• Canonical SMILES: O=C(c1cccc2c1OCC2)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C16H17N3O2/c20-16(12-5-3-4-11-7-9-21-15(11)12)18-14-10-17-13-6-1-2-8-19(13)14/h3-5,10H,1-2,6-9H2,(H,18,20)
• InChIKey: JSFIITUEFKSFQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.304116
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.2723112
• LogD (pH = 7.4): 1.9079902
• Log P: 1.9364812
• Molar Refractivity: 80.4061 cm^3
• Polarizability: 29.794964 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: 1.55
• LOG S: -2.59
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 2