6-chloro-N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 377324
• Molecular Formular: C20H20ClN3O2
• Molecular Mass: 369.8447
• Monoisotopic Mass: 369.12440458
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N(Cc1c(OCC)cccc1)C1CC1
• Canonical SMILES: CCOc1ccccc1CN(C(=O)c1cn2c(n1)ccc(c2)Cl)C1CC1
• InChI: InChI=1S/C20H20ClN3O2/c1-2-26-18-6-4-3-5-14(18)11-24(16-8-9-16)20(25)17-13-23-12-15(21)7-10-19(23)22-17/h3-7,10,12-13,16H,2,8-9,11H2,1H3
• InChIKey: JXTWXEBSYCEOSA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N-cyclopropyl-N-[(2-ethoxyphenyl)methyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-chloro-N-cyclopropyl-N-(2-ethoxybenzyl)imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.4324048
• LogD (pH = 7.4): 3.436558
• Log P: 3.4366112
• Molar Refractivity: 102.2766 cm^3
• Polarizability: 38.59988 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.72
• LOG S: -5.08
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6