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

• ChemBase ID: 402269
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1CN(Cc2occc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)Cc1ccco1)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H24N4O2/c23-18(20-17-11-19-16-7-1-2-9-22(16)17)14-5-3-8-21(12-14)13-15-6-4-10-24-15/h4,6,10-11,14H,1-3,5,7-9,12-13H2,(H,20,23)
• InChIKey: SCJBVDRUVVVUIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.707383
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.6795728
• LogD (pH = 7.4): 0.5875283
• Log P: 1.6273426
• Molar Refractivity: 92.5386 cm^3
• Polarizability: 34.977283 Å^3
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.96
• LOG S: -2.42
• Polar Surface Area: 63.3 Å^2
• Rotatable Bonds: 4