N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 846736
• Molecular Formular: C16H17N3O3
• Molecular Mass: 299.32448
• Monoisotopic Mass: 299.12699142
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCC(Cc1occc1)CO
• Canonical SMILES: OCC(Cc1ccco1)CNC(=O)c1ccc2n(c1)ccn2
• InChI: InChI=1S/C16H17N3O3/c20-11-12(8-14-2-1-7-22-14)9-18-16(21)13-3-4-15-17-5-6-19(15)10-13/h1-7,10,12,20H,8-9,11H2,(H,18,21)
• InChIKey: LAWMECBZBKCULP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]imidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-[2-(furan-2-ylmethyl)-3-hydroxypropyl]imidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-[3-(2-furyl)-2-(hydroxymethyl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.243067
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.46684855
• LogD (pH = 7.4): 0.14080994
• Log P: 0.1657589
• Molar Refractivity: 82.7265 cm^3
• Polarizability: 30.595013 Å^3
• Polar Surface Area: 79.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.84
• LOG S: -2.1
• Polar Surface Area: 79.77 Å^2
• Rotatable Bonds: 6