N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide

• ChemBase ID: 852657
• Molecular Formular: C15H20N4O2
• Molecular Mass: 288.3449
• Monoisotopic Mass: 288.1586259
• SMILES: n12c(c(nc1cccc2)C)CC(=O)N[C@H]1[C@H](O)CNCC1
• Canonical SMILES: O=C(Cc1c(C)nc2n1cccc2)N[C@@H]1CCNC[C@H]1O
• InChI: InChI=1S/C15H20N4O2/c1-10-12(19-7-3-2-4-14(19)17-10)8-15(21)18-11-5-6-16-9-13(11)20/h2-4,7,11,13,16,20H,5-6,8-9H2,1H3,(H,18,21)/t11-,13-/m1/s1
• InChIKey: CHPUUJREYBNCDR-DGCLKSJQSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• IUPAC Traditional name: N-[(3R,4R)-3-hydroxypiperidin-4-yl]-2-{2-methylimidazo[1,2-a]pyridin-3-yl}acetamide
• Synonyms: N-[(3R*,4R*)-3-hydroxypiperidin-4-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.193148
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.058958
• LogD (pH = 7.4): -3.194736
• Log P: -1.181134
• Molar Refractivity: 79.6854 cm^3
• Polarizability: 30.576626 Å^3
• Polar Surface Area: 78.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.76
• LOG S: -1.96
• Polar Surface Area: 78.66 Å^2
• Rotatable Bonds: 3