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

• ChemBase ID: 669119
• Molecular Formular: C17H22N4O3
• Molecular Mass: 330.38158
• Monoisotopic Mass: 330.16919058
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)c1cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C(c1coc(c1)CN1CCOCC1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C17H22N4O3/c22-17(19-16-10-18-15-3-1-2-4-21(15)16)13-9-14(24-12-13)11-20-5-7-23-8-6-20/h9-10,12H,1-8,11H2,(H,19,22)
• InChIKey: HBZUCRRKWBAOCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.961384
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.14622594
• LogD (pH = 7.4): 0.8028324
• Log P: 0.837407
• Molar Refractivity: 90.6414 cm^3
• Polarizability: 33.839878 Å^3
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.07
• LOG S: -2.86
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 4