3-(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)-N-(oxolan-2-ylmethyl)propanamide

• ChemBase ID: 590577
• Molecular Formular: C21H28N4O3
• Molecular Mass: 384.47202
• Monoisotopic Mass: 384.21614078
• SMILES: c1(C(=O)N2CCC(CC2)CCC(=O)NCC2OCCC2)cn2c(ncc2)cc1
• Canonical SMILES: O=C(NCC1CCCO1)CCC1CCN(CC1)C(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C21H28N4O3/c26-20(23-14-18-2-1-13-28-18)6-3-16-7-10-24(11-8-16)21(27)17-4-5-19-22-9-12-25(19)15-17/h4-5,9,12,15-16,18H,1-3,6-8,10-11,13-14H2,(H,23,26)
• InChIKey: TZKAFKCNSVCKRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)-N-(oxolan-2-ylmethyl)propanamide
• IUPAC Traditional name: 3-(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)-N-(oxolan-2-ylmethyl)propanamide
• Synonyms: 3-[1-(imidazo[1,2-a]pyridin-6-ylcarbonyl)piperidin-4-yl]-N-(tetrahydrofuran-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.451298
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.028667271
• LogD (pH = 7.4): 0.57468885
• Log P: 0.5991451
• Molar Refractivity: 107.3398 cm^3
• Polarizability: 40.52825 Å^3
• Polar Surface Area: 75.94 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: -0.69
• LOG S: -2.72
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 6