2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide

• ChemBase ID: 635011
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: n12c(c(nc1cccc2)C)CC(=O)NCC1(N2CCOCC2)CCCCC1
• Canonical SMILES: O=C(Cc1c(C)nc2n1cccc2)NCC1(CCCCC1)N1CCOCC1
• InChI: InChI=1S/C21H30N4O2/c1-17-18(25-10-6-3-7-19(25)23-17)15-20(26)22-16-21(8-4-2-5-9-21)24-11-13-27-14-12-24/h3,6-7,10H,2,4-5,8-9,11-16H2,1H3,(H,22,26)
• InChIKey: ARCFDOASRLHJCY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide
• IUPAC Traditional name: 2-{2-methylimidazo[1,2-a]pyridin-3-yl}-N-{[1-(morpholin-4-yl)cyclohexyl]methyl}acetamide
• Synonyms: 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.684641
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.2884811
• LogD (pH = 7.4): 0.99576503
• Log P: 1.3885858
• Molar Refractivity: 106.4293 cm^3
• Polarizability: 40.95912 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.59
• LOG S: -3.26
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 5