N-{imidazo[1,2-a]pyrazin-3-ylmethyl}-3-phenoxypropanamide

• ChemBase ID: 452724
• Molecular Formular: C16H16N4O2
• Molecular Mass: 296.32384
• Monoisotopic Mass: 296.12732577
• SMILES: n12c(ncc1CNC(=O)CCOc1ccccc1)cncc2
• Canonical SMILES: O=C(NCc1cnc2n1ccnc2)CCOc1ccccc1
• InChI: InChI=1S/C16H16N4O2/c21-16(6-9-22-14-4-2-1-3-5-14)19-11-13-10-18-15-12-17-7-8-20(13)15/h1-5,7-8,10,12H,6,9,11H2,(H,19,21)
• InChIKey: CPVFMZIOWNXWRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyrazin-3-ylmethyl}-3-phenoxypropanamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyrazin-3-ylmethyl}-3-phenoxypropanamide
• Synonyms: N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-3-phenoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.982842
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.15857126
• LogD (pH = 7.4): 0.16038626
• Log P: 0.16040947
• Molar Refractivity: 82.2357 cm^3
• Polarizability: 31.248413 Å^3
• Polar Surface Area: 68.52 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: 0.3
• LOG S: -2.93
• Polar Surface Area: 68.52 Å^2
• Rotatable Bonds: 6