1-(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)-3-phenylpropan-1-ol

• ChemBase ID: 524263
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: c1(C(=O)N2CCC(CC2)C(CCc2ccccc2)O)cn2c(ncc2)cc1
• Canonical SMILES: OC(C1CCN(CC1)C(=O)c1ccc2n(c1)ccn2)CCc1ccccc1
• InChI: InChI=1S/C22H25N3O2/c26-20(8-6-17-4-2-1-3-5-17)18-10-13-24(14-11-18)22(27)19-7-9-21-23-12-15-25(21)16-19/h1-5,7,9,12,15-16,18,20,26H,6,8,10-11,13-14H2
• InChIKey: HRPYERRCLZWXDI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)-3-phenylpropan-1-ol
• IUPAC Traditional name: 1-(1-{imidazo[1,2-a]pyridine-6-carbonyl}piperidin-4-yl)-3-phenylpropan-1-ol
• Synonyms: 1-[1-(imidazo[1,2-a]pyridin-6-ylcarbonyl)piperidin-4-yl]-3-phenylpropan-1-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.935224
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7258605
• LogD (pH = 7.4): 2.329216
• Log P: 2.3536723
• Molar Refractivity: 106.9893 cm^3
• Polarizability: 40.260674 Å^3
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.86
• LOG S: -3.44
• Polar Surface Area: 57.84 Å^2
• Rotatable Bonds: 5