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

• ChemBase ID: 430088
• Molecular Formular: C19H21N5O2
• Molecular Mass: 351.40234
• Monoisotopic Mass: 351.16952494
• SMILES: c12n(c(CC(=O)N3CCC(Oc4ncccn4)CC3)cn1)cccc2C
• Canonical SMILES: O=C(N1CCC(CC1)Oc1ncccn1)Cc1cnc2n1cccc2C
• InChI: InChI=1S/C19H21N5O2/c1-14-4-2-9-24-15(13-22-18(14)24)12-17(25)23-10-5-16(6-11-23)26-19-20-7-3-8-21-19/h2-4,7-9,13,16H,5-6,10-12H2,1H3
• InChIKey: HOBXRAIJHUMBSZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.084333144
• LogD (pH = 7.4): 0.82732004
• Log P: 0.87861663
• Molar Refractivity: 98.3728 cm^3
• Polarizability: 36.922318 Å^3
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.6
• LOG S: -3.98
• Polar Surface Area: 72.62 Å^2
• Rotatable Bonds: 4