3-{imidazo[1,2-a]pyridin-2-yl}-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one

• ChemBase ID: 329279
• Molecular Formular: C20H28N4O2
• Molecular Mass: 356.46192
• Monoisotopic Mass: 356.22122616
• SMILES: n12c(nc(c1)CCC(=O)N1C(CN3CCOCC3)CCCC1)cccc2
• Canonical SMILES: O=C(N1CCCCC1CN1CCOCC1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C20H28N4O2/c25-20(8-7-17-15-23-9-3-2-6-19(23)21-17)24-10-4-1-5-18(24)16-22-11-13-26-14-12-22/h2-3,6,9,15,18H,1,4-5,7-8,10-14,16H2
• InChIKey: QXWVMYMMIQCOCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
• Synonyms: 2-{3-[2-(4-morpholinylmethyl)-1-piperidinyl]-3-oxopropyl}imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.0260472
• LogD (pH = 7.4): 0.93422574
• Log P: 1.0664691
• Molar Refractivity: 101.9426 cm^3
• Polarizability: 39.195045 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: 1.43
• LOG S: -3.02
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5