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

• ChemBase ID: 483119
• Molecular Formular: C21H24N4O
• Molecular Mass: 348.44146
• Monoisotopic Mass: 348.19501141
• SMILES: n12c(nc(c1)CCC(=O)N1CC(Nc3ccccc3)CCC1)cccc2
• Canonical SMILES: O=C(N1CCCC(C1)Nc1ccccc1)CCc1nc2n(c1)cccc2
• InChI: InChI=1S/C21H24N4O/c26-21(12-11-19-15-24-13-5-4-10-20(24)23-19)25-14-6-9-18(16-25)22-17-7-2-1-3-8-17/h1-5,7-8,10,13,15,18,22H,6,9,11-12,14,16H2
• InChIKey: VBKDXADDIGPLQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[3-(phenylamino)piperidin-1-yl]propan-1-one
• IUPAC Traditional name: 3-{imidazo[1,2-a]pyridin-2-yl}-1-[3-(phenylamino)piperidin-1-yl]propan-1-one
• Synonyms: 1-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-N-phenyl-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3080423
• LogD (pH = 7.4): 2.068233
• Log P: 2.0962553
• Molar Refractivity: 104.5308 cm^3
• Polarizability: 39.235302 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.29
• LOG S: -4.98
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5