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

• ChemBase ID: 473766
• Molecular Formular: C18H26ClN5O
• Molecular Mass: 363.88494
• Monoisotopic Mass: 363.18258816
• SMILES: n12c(c(nc1ccc(c2)Cl)C)C(=O)NCCC(N1CCN(CC1)C)C
• Canonical SMILES: CC(N1CCN(CC1)C)CCNC(=O)c1c(C)nc2n1cc(Cl)cc2
• InChI: InChI=1S/C18H26ClN5O/c1-13(23-10-8-22(3)9-11-23)6-7-20-18(25)17-14(2)21-16-5-4-15(19)12-24(16)17/h4-5,12-13H,6-11H2,1-3H3,(H,20,25)
• InChIKey: LRQZTLGKVXDXTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.928
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.2199907
• LogD (pH = 7.4): -0.44368583
• Log P: 0.83158064
• Molar Refractivity: 102.5387 cm^3
• Polarizability: 38.674118 Å^3
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.56
• LOG S: -3.19
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 5