2-{8-methylimidazo[1,2-a]pyridin-3-yl}-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}ethan-1-one

• ChemBase ID: 321231
• Molecular Formular: C21H30N4O2
• Molecular Mass: 370.4885
• Monoisotopic Mass: 370.23687622
• SMILES: c12n(c(CC(=O)N3C(CCN4CCOCC4)CCCC3)cn1)cccc2C
• Canonical SMILES: O=C(N1CCCCC1CCN1CCOCC1)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C21H30N4O2/c1-17-5-4-9-25-19(16-22-21(17)25)15-20(26)24-8-3-2-6-18(24)7-10-23-11-13-27-14-12-23/h4-5,9,16,18H,2-3,6-8,10-15H2,1H3
• InChIKey: XNDNGQITGCISAQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}ethan-1-one
• IUPAC Traditional name: 2-{8-methylimidazo[1,2-a]pyridin-3-yl}-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}ethanone
• Synonyms: 8-methyl-3-(2-{2-[2-(4-morpholinyl)ethyl]-1-piperidinyl}-2-oxoethyl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1690191
• LogD (pH = 7.4): 1.0099462
• Log P: 1.2413667
• Molar Refractivity: 107.5495 cm^3
• Polarizability: 40.95738 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.74
• LOG S: -3.39
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5