2-(2-chlorophenyl)-1-{4-[2-(oxolan-2-yl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl}ethan-1-one

• ChemBase ID: 737948
• Molecular Formular: C23H25ClN4O2
• Molecular Mass: 424.9232
• Monoisotopic Mass: 424.16660374
• SMILES: c1(n(c2c(n1)cccn2)C1CCN(C(=O)Cc2c(Cl)cccc2)CC1)C1OCCC1
• Canonical SMILES: O=C(N1CCC(CC1)n1c(nc2c1nccc2)C1CCCO1)Cc1ccccc1Cl
• InChI: InChI=1S/C23H25ClN4O2/c24-18-6-2-1-5-16(18)15-21(29)27-12-9-17(10-13-27)28-22-19(7-3-11-25-22)26-23(28)20-8-4-14-30-20/h1-3,5-7,11,17,20H,4,8-10,12-15H2
• InChIKey: WQWFOTSNHTWDHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chlorophenyl)-1-{4-[2-(oxolan-2-yl)-3H-imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl}ethan-1-one
• IUPAC Traditional name: 2-(2-chlorophenyl)-1-{4-[2-(oxolan-2-yl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl}ethanone
• Synonyms: 3-{1-[(2-chlorophenyl)acetyl]-4-piperidinyl}-2-(tetrahydro-2-furanyl)-3H-imidazo[4,5-b]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8917043
• LogD (pH = 7.4): 2.891751
• Log P: 2.8917515
• Molar Refractivity: 115.0903 cm^3
• Polarizability: 45.250027 Å^3
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.55
• LOG S: -5.01
• Polar Surface Area: 60.25 Å^2
• Rotatable Bonds: 4