(2R,6S)-4-[6-chloro-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-2-carbonyl]-2,6-dimethylmorpholine

• ChemBase ID: 540630
• Molecular Formular: C20H27ClN4O2
• Molecular Mass: 390.90698
• Monoisotopic Mass: 390.1822538
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)CN1CCCCC1)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(c1CN1CCCCC1)cc(cc2)Cl
• InChI: InChI=1S/C20H27ClN4O2/c1-14-10-24(11-15(2)27-14)20(26)19-17(13-23-8-4-3-5-9-23)25-12-16(21)6-7-18(25)22-19/h6-7,12,14-15H,3-5,8-11,13H2,1-2H3/t14-,15+
• InChIKey: PRWZEPFJGKQGQN-GASCZTMLSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.76065093
• LogD (pH = 7.4): 2.1948493
• Log P: 2.3738506
• Molar Refractivity: 107.7153 cm^3
• Polarizability: 40.88175 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.6
• LOG S: -3.42
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 3