2-{2-[1-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)piperidin-4-yl]-1H-imidazol-1-yl}acetamide

• ChemBase ID: 342467
• Molecular Formular: C20H24N6O2
• Molecular Mass: 380.44356
• Monoisotopic Mass: 380.19607404
• SMILES: c12n(c(CC(=O)N3CCC(c4n(CC(=O)N)ccn4)CC3)cn1)cccc2C
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCN(CC1)C(=O)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C20H24N6O2/c1-14-3-2-7-26-16(12-23-19(14)26)11-18(28)24-8-4-15(5-9-24)20-22-6-10-25(20)13-17(21)27/h2-3,6-7,10,12,15H,4-5,8-9,11,13H2,1H3,(H2,21,27)
• InChIKey: UZOSMLAOIARSQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-[1-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)piperidin-4-yl]-1H-imidazol-1-yl}acetamide
• IUPAC Traditional name: 2-{2-[1-(2-{8-methylimidazo[1,2-a]pyridin-3-yl}acetyl)piperidin-4-yl]imidazol-1-yl}acetamide
• Synonyms: 2-(2-{1-[(8-methylimidazo[1,2-a]pyridin-3-yl)acetyl]piperidin-4-yl}-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.609359
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.797724
• LogD (pH = 7.4): -0.4372728
• Log P: -0.3598566
• Molar Refractivity: 105.7735 cm^3
• Polarizability: 39.739517 Å^3
• Polar Surface Area: 98.52 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.14
• LOG S: -3.16
• Polar Surface Area: 98.52 Å^2
• Rotatable Bonds: 5