2-[2-(1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)-1H-imidazol-1-yl]acetamide

• ChemBase ID: 390883
• Molecular Formular: C18H19ClN6O2
• Molecular Mass: 386.83546
• Monoisotopic Mass: 386.12580156
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N1CCC(c2n(CC(=O)N)ccn2)CC1
• Canonical SMILES: NC(=O)Cn1ccnc1C1CCN(CC1)C(=O)c1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C18H19ClN6O2/c19-13-1-2-16-22-14(10-25(16)9-13)18(27)23-6-3-12(4-7-23)17-21-5-8-24(17)11-15(20)26/h1-2,5,8-10,12H,3-4,6-7,11H2,(H2,20,26)
• InChIKey: UYNBXUHBUADOKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)-1H-imidazol-1-yl]acetamide
• IUPAC Traditional name: 2-[2-(1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}piperidin-4-yl)imidazol-1-yl]acetamide
• Synonyms: 2-(2-{1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)carbonyl]piperidin-4-yl}-1H-imidazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.497897
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.43136492
• LogD (pH = 7.4): 0.19027735
• Log P: 0.2164505
• Molar Refractivity: 101.2362 cm^3
• Polarizability: 37.869743 Å^3
• Polar Surface Area: 98.52 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: -0.54
• LOG S: -2.87
• Polar Surface Area: 98.52 Å^2
• Rotatable Bonds: 4