1-[3-(1H-imidazol-2-yl)-8-methylimidazo[1,2-a]pyridine-2-carbonyl]piperidine

• ChemBase ID: 765242
• Molecular Formular: C17H19N5O
• Molecular Mass: 309.36566
• Monoisotopic Mass: 309.15896025
• SMILES: c1(c(n2c(n1)c(ccc2)C)c1ncc[nH]1)C(=O)N1CCCCC1
• Canonical SMILES: O=C(c1nc2n(c1c1ncc[nH]1)cccc2C)N1CCCCC1
• InChI: InChI=1S/C17H19N5O/c1-12-6-5-11-22-14(15-18-7-8-19-15)13(20-16(12)22)17(23)21-9-3-2-4-10-21/h5-8,11H,2-4,9-10H2,1H3,(H,18,19)
• InChIKey: QHMJWQYQYOHYHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[3-(1H-imidazol-2-yl)-8-methylimidazo[1,2-a]pyridine-2-carbonyl]piperidine
• IUPAC Traditional name: 1-[3-(1H-imidazol-2-yl)-8-methylimidazo[1,2-a]pyridine-2-carbonyl]piperidine
• Synonyms: 3-(1H-imidazol-2-yl)-8-methyl-2-(piperidin-1-ylcarbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.821392
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3741729
• LogD (pH = 7.4): 1.6286724
• Log P: 1.633481
• Molar Refractivity: 99.5533 cm^3
• Polarizability: 33.452354 Å^3
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.97
• LOG S: -2.29
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 2