6-chloro-N,N-dimethyl-3-({[2-(propan-2-yloxy)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 864633
• Molecular Formular: C16H23ClN4O2
• Molecular Mass: 338.83242
• Monoisotopic Mass: 338.15095368
• SMILES: c1(nc2n(c1CNCCOC(C)C)cc(cc2)Cl)C(=O)N(C)C
• Canonical SMILES: CC(OCCNCc1c(nc2n1cc(Cl)cc2)C(=O)N(C)C)C
• InChI: InChI=1S/C16H23ClN4O2/c1-11(2)23-8-7-18-9-13-15(16(22)20(3)4)19-14-6-5-12(17)10-21(13)14/h5-6,10-11,18H,7-9H2,1-4H3
• InChIKey: DURYFRPSXRUYTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-dimethyl-3-({[2-(propan-2-yloxy)ethyl]amino}methyl)imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-3-{[(2-isopropoxyethyl)amino]methyl}-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-chloro-3-{[(2-isopropoxyethyl)amino]methyl}-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.1960279
• LogD (pH = 7.4): 0.53803635
• Log P: 1.2521943
• Molar Refractivity: 92.5774 cm^3
• Polarizability: 34.98012 Å^3
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.97
• LOG S: -3.37
• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 6