N-[3-(1H-imidazol-1-yl)propyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 591265
• Molecular Formular: C20H19N5O
• Molecular Mass: 345.39776
• Monoisotopic Mass: 345.15896025
• SMILES: n12c(nc(c2)c2ccccc2)ccc(c1)C(=O)NCCCn1cncc1
• Canonical SMILES: O=C(c1ccc2n(c1)cc(n2)c1ccccc1)NCCCn1cncc1
• InChI: InChI=1S/C20H19N5O/c26-20(22-9-4-11-24-12-10-21-15-24)17-7-8-19-23-18(14-25(19)13-17)16-5-2-1-3-6-16/h1-3,5-8,10,12-15H,4,9,11H2,(H,22,26)
• InChIKey: HDMHFDBXFBVRLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-imidazol-1-yl)propyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[3-(imidazol-1-yl)propyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[3-(1H-imidazol-1-yl)propyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.2432
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.1097445
• LogD (pH = 7.4): 1.7620987
• Log P: 1.8338281
• Molar Refractivity: 101.4816 cm^3
• Polarizability: 39.012283 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.96
• LOG S: -3.39
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6