N-{2-[(4-chlorophenyl)methoxy]ethyl}-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 574258
• Molecular Formular: C18H17ClFN3O2
• Molecular Mass: 361.7978832
• Monoisotopic Mass: 361.0993327
• SMILES: c1(nc2n(c1F)ccc(c2)C)C(=O)NCCOCc1ccc(Cl)cc1
• Canonical SMILES: Clc1ccc(cc1)COCCNC(=O)c1nc2n(c1F)ccc(c2)C
• InChI: InChI=1S/C18H17ClFN3O2/c1-12-6-8-23-15(10-12)22-16(17(23)20)18(24)21-7-9-25-11-13-2-4-14(19)5-3-13/h2-6,8,10H,7,9,11H2,1H3,(H,21,24)
• InChIKey: OHEXPQRLQOHXAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[(4-chlorophenyl)methoxy]ethyl}-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: N-{2-[(4-chlorophenyl)methoxy]ethyl}-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: N-{2-[(4-chlorobenzyl)oxy]ethyl}-3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.5653105
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.0460668
• LogD (pH = 7.4): 3.0461185
• Log P: 3.046146
• Molar Refractivity: 95.2125 cm^3
• Polarizability: 35.292946 Å^3
• Polar Surface Area: 55.63 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: 3.48
• LOG S: -4.81
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 6