6-chloro-N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 636101
• Molecular Formular: C16H18ClN5O
• Molecular Mass: 331.80002
• Monoisotopic Mass: 331.1199879
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)NCCCn1c(ncc1)CC
• Canonical SMILES: CCc1nccn1CCCNC(=O)c1cn2c(n1)ccc(c2)Cl
• InChI: InChI=1S/C16H18ClN5O/c1-2-14-18-7-9-21(14)8-3-6-19-16(23)13-11-22-10-12(17)4-5-15(22)20-13/h4-5,7,9-11H,2-3,6,8H2,1H3,(H,19,23)
• InChIKey: UWNPRZIPMBLGOQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N-[3-(2-ethylimidazol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-chloro-N-[3-(2-ethyl-1H-imidazol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.671754
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6154748
• LogD (pH = 7.4): 1.4161686
• Log P: 1.614248
• Molar Refractivity: 90.2178 cm^3
• Polarizability: 33.576824 Å^3
• Polar Surface Area: 64.22 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: 2.79
• LOG S: -4.0
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 6