2-methyl-N-{2-[2-(pyrimidin-2-yl)-1,3-thiazol-4-yl]ethyl}imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 633780
• Molecular Formular: C18H16N6OS
• Molecular Mass: 364.42424
• Monoisotopic Mass: 364.11063016
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NCCc1nc(sc1)c1ncccn1
• Canonical SMILES: Cc1cn2c(n1)ccc(c2)C(=O)NCCc1csc(n1)c1ncccn1
• InChI: InChI=1S/C18H16N6OS/c1-12-9-24-10-13(3-4-15(24)22-12)17(25)21-8-5-14-11-26-18(23-14)16-19-6-2-7-20-16/h2-4,6-7,9-11H,5,8H2,1H3,(H,21,25)
• InChIKey: JZOPOZCNWKIHPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.274253
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.963882
• LogD (pH = 7.4): 1.613367
• Log P: 1.6346345
• Molar Refractivity: 120.542 cm^3
• Polarizability: 36.81603 Å^3
• Polar Surface Area: 85.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.36
• LOG S: -3.02
• Polar Surface Area: 85.07 Å^2
• Rotatable Bonds: 5