N-[2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 763682
• Molecular Formular: C20H17N5O3
• Molecular Mass: 375.38068
• Monoisotopic Mass: 375.13313943
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NCCc1c(=O)[nH]c(=O)[nH]c1
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)NCCc1c[nH]c(=O)[nH]c1=O
• InChI: InChI=1S/C20H17N5O3/c26-18(21-9-8-14-10-22-20(28)24-19(14)27)15-6-7-17-23-16(12-25(17)11-15)13-4-2-1-3-5-13/h1-7,10-12H,8-9H2,(H,21,26)(H2,22,24,27,28)
• InChIKey: JQODXMRVRHBZGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[2-(2,4-dioxo-1,3-dihydropyrimidin-5-yl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Polarizability: 39.569 Å^3
• Polar Surface Area: 104.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 10.012726
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.742442
• LogD (pH = 7.4): 0.9295587
• Log P: 0.9336681
• Molar Refractivity: 103.2705 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 112.12 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 3
• Log P: 1.64
• LOG S: -3.34