2-[4-(3-{imidazo[1,2-a]pyridin-2-yl}propanoyl)morpholin-3-yl]-N-phenylacetamide

• ChemBase ID: 417397
• Molecular Formular: C22H24N4O3
• Molecular Mass: 392.45096
• Monoisotopic Mass: 392.18484065
• SMILES: n12c(nc(c1)CCC(=O)N1C(CC(=O)Nc3ccccc3)COCC1)cccc2
• Canonical SMILES: O=C(CC1COCCN1C(=O)CCc1nc2n(c1)cccc2)Nc1ccccc1
• InChI: InChI=1S/C22H24N4O3/c27-21(24-17-6-2-1-3-7-17)14-19-16-29-13-12-26(19)22(28)10-9-18-15-25-11-5-4-8-20(25)23-18/h1-8,11,15,19H,9-10,12-14,16H2,(H,24,27)
• InChIKey: CPSISXFWAKQGCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(3-{imidazo[1,2-a]pyridin-2-yl}propanoyl)morpholin-3-yl]-N-phenylacetamide
• IUPAC Traditional name: 2-[4-(3-{imidazo[1,2-a]pyridin-2-yl}propanoyl)morpholin-3-yl]-N-phenylacetamide
• Synonyms: 2-[4-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-3-morpholinyl]-N-phenylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.124795
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.60737944
• LogD (pH = 7.4): 1.3193845
• Log P: 1.3467565
• Molar Refractivity: 110.8428 cm^3
• Polarizability: 41.829132 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.09
• LOG S: -3.85
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 6