3-fluoro-N,N-bis(2-methoxyethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 787348
• Molecular Formular: C15H20FN3O3
• Molecular Mass: 309.3360032
• Monoisotopic Mass: 309.14886974
• SMILES: c1(nc2n(c1F)ccc(c2)C)C(=O)N(CCOC)CCOC
• Canonical SMILES: COCCN(C(=O)c1nc2n(c1F)ccc(c2)C)CCOC
• InChI: InChI=1S/C15H20FN3O3/c1-11-4-5-19-12(10-11)17-13(14(19)16)15(20)18(6-8-21-2)7-9-22-3/h4-5,10H,6-9H2,1-3H3
• InChIKey: JIJQOFXLPZUEGA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-N,N-bis(2-methoxyethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 3-fluoro-N,N-bis(2-methoxyethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 3-fluoro-N,N-bis(2-methoxyethyl)-7-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8942512
• LogD (pH = 7.4): 0.89432764
• Log P: 0.89432865
• Molar Refractivity: 81.7353 cm^3
• Polarizability: 30.086737 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.34
• LOG S: -3.06
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 7