2-phenyl-N-[4-(pyridin-2-yl)butyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 387206
• Molecular Formular: C23H22N4O
• Molecular Mass: 370.44698
• Monoisotopic Mass: 370.17936134
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NCCCCc1ncccc1
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)NCCCCc1ccccn1
• InChI: InChI=1S/C23H22N4O/c28-23(25-15-7-5-11-20-10-4-6-14-24-20)19-12-13-22-26-21(17-27(22)16-19)18-8-2-1-3-9-18/h1-4,6,8-10,12-14,16-17H,5,7,11,15H2,(H,25,28)
• InChIKey: LYXXSNCEEALQIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-N-[4-(pyridin-2-yl)butyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: 2-phenyl-N-[4-(pyridin-2-yl)butyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: 2-phenyl-N-(4-pyridin-2-ylbutyl)imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.244009
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.9015894
• LogD (pH = 7.4): 3.4158757
• Log P: 3.4254568
• Molar Refractivity: 110.6646 cm^3
• Polarizability: 43.092384 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.45
• LOG S: -3.55
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 7