4-{3-[(3-methoxypiperidin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine

• ChemBase ID: 376866
• Molecular Formular: C20H28N4O3
• Molecular Mass: 372.46132
• Monoisotopic Mass: 372.21614078
• SMILES: c1(c(n2c(n1)c(ccc2)C)CN1CC(OC)CCC1)C(=O)N1CCOCC1
• Canonical SMILES: COC1CCCN(C1)Cc1c(nc2n1cccc2C)C(=O)N1CCOCC1
• InChI: InChI=1S/C20H28N4O3/c1-15-5-3-8-24-17(14-22-7-4-6-16(13-22)26-2)18(21-19(15)24)20(25)23-9-11-27-12-10-23/h3,5,8,16H,4,6-7,9-14H2,1-2H3
• InChIKey: CRBDKBMBJOJQSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[(3-methoxypiperidin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine
• IUPAC Traditional name: 4-{3-[(3-methoxypiperidin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carbonyl}morpholine
• Synonyms: 3-[(3-methoxy-1-piperidinyl)methyl]-8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.014618
• LogD (pH = 7.4): 0.63988465
• Log P: 1.0183
• Molar Refractivity: 105.2268 cm^3
• Polarizability: 39.61575 Å^3
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.07
• LOG S: -1.11
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 3