6-chloro-2-methyl-N-[2-(4-methylmorpholin-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase ID: 350995
• Molecular Formular: C16H21ClN4O2
• Molecular Mass: 336.81654
• Monoisotopic Mass: 336.13530361
• SMILES: n12c(c(nc1ccc(c2)Cl)C)C(=O)NCCC1OCCN(C1)C
• Canonical SMILES: Cc1nc2n(c1C(=O)NCCC1CN(C)CCO1)cc(cc2)Cl
• InChI: InChI=1S/C16H21ClN4O2/c1-11-15(21-9-12(17)3-4-14(21)19-11)16(22)18-6-5-13-10-20(2)7-8-23-13/h3-4,9,13H,5-8,10H2,1-2H3,(H,18,22)
• InChIKey: FUXIKNCAEVICTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-2-methyl-N-[2-(4-methylmorpholin-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC Traditional name: 6-chloro-2-methyl-N-[2-(4-methylmorpholin-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
• Synonyms: 6-chloro-2-methyl-N-[2-(4-methylmorpholin-2-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Donor: 1
• LogD (pH = 5.5): -1.3489242
• LogD (pH = 7.4): 0.19905835
• Log P: 0.40915263
• Molar Refractivity: 90.8145 cm^3
• Polarizability: 34.190804 Å^3
• Acid pKa: 15.927469
• H Acceptors: 4

供应商提供(Chembridge)

• Polar Surface Area: 58.87 Å^2
• Rotatable Bonds: 4
• H Acceptors: 4
• H Donor: 1
• Log P: 1.39
• LOG S: -2.84