3-{imidazo[1,2-a]pyridin-2-yl}-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one

• ChemBase ID: 464141
• Molecular Formular: C21H24N4O2
• Molecular Mass: 364.44086
• Monoisotopic Mass: 364.18992603
• SMILES: n12c(nc(c1)CCC(=O)N1CCC(CC1)OCc1cnccc1)cccc2
• Canonical SMILES: O=C(N1CCC(CC1)OCc1cccnc1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C21H24N4O2/c26-21(7-6-18-15-25-11-2-1-5-20(25)23-18)24-12-8-19(9-13-24)27-16-17-4-3-10-22-14-17/h1-5,10-11,14-15,19H,6-9,12-13,16H2
• InChIKey: JZRCRTWFSXZVAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
• Synonyms: 2-{3-oxo-3-[4-(3-pyridinylmethoxy)-1-piperidinyl]propyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 1.82
• LOG S: -2.11
• Polar Surface Area: 59.73 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.024652494
• LogD (pH = 7.4): 0.79598135
• Log P: 0.82417864
• Molar Refractivity: 103.968 cm^3
• Polarizability: 39.720715 Å^3
• Polar Surface Area: 59.73 Å^2
• Rotatable Bonds: 6