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

• ChemBase ID: 315432
• Molecular Formular: C18H26N4O2
• Molecular Mass: 330.42464
• Monoisotopic Mass: 330.20557609
• SMILES: c1(C(=O)Nc2n3c(nc2)CCCC3)c(oc(c1)CN(CC)CC)C
• Canonical SMILES: CCN(Cc1oc(c(c1)C(=O)Nc1cnc2n1CCCC2)C)CC
• InChI: InChI=1S/C18H26N4O2/c1-4-21(5-2)12-14-10-15(13(3)24-14)18(23)20-17-11-19-16-8-6-7-9-22(16)17/h10-11H,4-9,12H2,1-3H3,(H,20,23)
• InChIKey: OIDQYZKCLIRZHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.343712
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2762657
• LogD (pH = 7.4): 1.1321274
• Log P: 1.9690846
• Molar Refractivity: 96.2138 cm^3
• Polarizability: 35.606495 Å^3
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.26
• LOG S: -3.54
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 6