2-{imidazo[1,2-a]pyridin-3-yl}-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethan-1-one

• ChemBase ID: 696720
• Molecular Formular: C23H23N5O
• Molecular Mass: 385.46162
• Monoisotopic Mass: 385.19026038
• SMILES: n12c(CC(=O)N3CCC(c4c(cn[nH]4)c4ccccc4)CC3)cnc1cccc2
• Canonical SMILES: O=C(N1CCC(CC1)c1[nH]ncc1c1ccccc1)Cc1cnc2n1cccc2
• InChI: InChI=1S/C23H23N5O/c29-22(14-19-15-24-21-8-4-5-11-28(19)21)27-12-9-18(10-13-27)23-20(16-25-26-23)17-6-2-1-3-7-17/h1-8,11,15-16,18H,9-10,12-14H2,(H,25,26)
• InChIKey: CLQJSQXSCLIULE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[1,2-a]pyridin-3-yl}-1-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethan-1-one
• IUPAC Traditional name: 2-{imidazo[1,2-a]pyridin-3-yl}-1-[4-(4-phenyl-2H-pyrazol-3-yl)piperidin-1-yl]ethanone
• Synonyms: 3-{2-oxo-2-[4-(4-phenyl-1H-pyrazol-5-yl)piperidin-1-yl]ethyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.28952
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.345222
• LogD (pH = 7.4): 1.9922624
• Log P: 2.0223544
• Molar Refractivity: 114.3008 cm^3
• Polarizability: 44.021034 Å^3
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.17
• LOG S: -4.72
• Polar Surface Area: 66.29 Å^2
• Rotatable Bonds: 4