5-ethyl-N-{imidazo[1,2-a]pyridin-3-ylmethyl}-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide

• ChemBase ID: 611172
• Molecular Formular: C20H24N4O2
• Molecular Mass: 352.43016
• Monoisotopic Mass: 352.18992603
• SMILES: c1(cc(oc1CC)C(=O)NCc1n2c(nc1)cccc2)CN1CCCC1
• Canonical SMILES: CCc1oc(cc1CN1CCCC1)C(=O)NCc1cnc2n1cccc2
• InChI: InChI=1S/C20H24N4O2/c1-2-17-15(14-23-8-5-6-9-23)11-18(26-17)20(25)22-13-16-12-21-19-7-3-4-10-24(16)19/h3-4,7,10-12H,2,5-6,8-9,13-14H2,1H3,(H,22,25)
• InChIKey: NVQXFQALPWOBHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-N-{imidazo[1,2-a]pyridin-3-ylmethyl}-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
• IUPAC Traditional name: 5-ethyl-N-{imidazo[1,2-a]pyridin-3-ylmethyl}-4-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
• Synonyms: 5-ethyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.257176
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6149098
• LogD (pH = 7.4): 0.7724826
• Log P: 1.6078646
• Molar Refractivity: 102.5499 cm^3
• Polarizability: 38.03316 Å^3
• Polar Surface Area: 62.78 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: 2.52
• LOG S: -3.92
• Polar Surface Area: 62.78 Å^2
• Rotatable Bonds: 6