[1-(1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-yl)piperidin-4-yl]methanol

• ChemBase ID: 588219
• Molecular Formular: C19H25ClN4O2
• Molecular Mass: 376.8804
• Monoisotopic Mass: 376.16660374
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N1CC(N2CCC(CC2)CO)CCC1
• Canonical SMILES: OCC1CCN(CC1)C1CCCN(C1)C(=O)c1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C19H25ClN4O2/c20-15-3-4-18-21-17(12-24(18)10-15)19(26)23-7-1-2-16(11-23)22-8-5-14(13-25)6-9-22/h3-4,10,12,14,16,25H,1-2,5-9,11,13H2
• InChIKey: VKCKGXJSVQCKAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-yl)piperidin-4-yl]methanol
• IUPAC Traditional name: [1-(1-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}piperidin-3-yl)piperidin-4-yl]methanol
• Synonyms: {1'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)carbonyl]-1,3'-bipiperidin-4-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.467189
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.5625865
• LogD (pH = 7.4): 0.19194503
• Log P: 1.3103063
• Molar Refractivity: 103.0136 cm^3
• Polarizability: 38.978798 Å^3
• Polar Surface Area: 61.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.94
• LOG S: -2.75
• Polar Surface Area: 61.08 Å^2
• Rotatable Bonds: 3