(2R,6S)-4-[6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carbonyl]-2,6-dimethylmorpholine

• ChemBase ID: 459785
• Molecular Formular: C17H18ClN5O2
• Molecular Mass: 359.81012
• Monoisotopic Mass: 359.11490252
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)c1ncc[nH]1)C(=O)N1C[C@@H](O[C@@H](C1)C)C
• Canonical SMILES: C[C@@H]1O[C@H](C)CN(C1)C(=O)c1nc2n(c1c1ncc[nH]1)cc(cc2)Cl
• InChI: InChI=1S/C17H18ClN5O2/c1-10-7-22(8-11(2)25-10)17(24)14-15(16-19-5-6-20-16)23-9-12(18)3-4-13(23)21-14/h3-6,9-11H,7-8H2,1-2H3,(H,19,20)/t10-,11+
• InChIKey: CFFAQHBBGQGYMM-PHIMTYICSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,6S)-4-[6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carbonyl]-2,6-dimethylmorpholine
• IUPAC Traditional name: (2R,6S)-4-[6-chloro-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridine-2-carbonyl]-2,6-dimethylmorpholine
• Synonyms: 6-chloro-2-{[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]carbonyl}-3-(1H-imidazol-2-yl)imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.824241
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2287518
• LogD (pH = 7.4): 1.4835683
• Log P: 1.4883878
• Molar Refractivity: 105.087 cm^3
• Polarizability: 36.14274 Å^3
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.6
• LOG S: -2.34
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 2