({6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[2,1-b][1,3]thiazol-5-yl}methyl)({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)amine

• ChemBase ID: 842714
• Molecular Formular: C22H26N6O2S
• Molecular Mass: 438.54584
• Monoisotopic Mass: 438.1837951
• SMILES: c1(nc2n(c1CNCc1nc3n(c1)c(ccc3)C)ccs2)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(c1CNCc1cn3c(n1)cccc3C)ccs2
• InChI: InChI=1S/C22H26N6O2S/c1-14-5-4-6-19-24-17(13-28(14)19)9-23-10-18-20(25-22-27(18)7-8-31-22)21(29)26-11-15(2)30-16(3)12-26/h4-8,13,15-16,23H,9-12H2,1-3H3/t15-,16+
• InChIKey: QQFURZHLIXYSGY-IYBDPMFKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[2,1-b][1,3]thiazol-5-yl}methyl)({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)amine
• IUPAC Traditional name: ({6-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]imidazo[2,1-b][1,3]thiazol-5-yl}methyl)({5-methylimidazo[1,2-a]pyridin-2-yl}methyl)amine
• Synonyms: 1-(6-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}imidazo[2,1-b][1,3]thiazol-5-yl)-N-[(5-methylimidazo[1,2-a]pyridin-2-yl)methyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.04465669
• LogD (pH = 7.4): 1.2401426
• Log P: 1.361903
• Molar Refractivity: 132.1683 cm^3
• Polarizability: 45.378925 Å^3
• Polar Surface Area: 76.17 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 1.06
• LOG S: -5.1
• Polar Surface Area: 76.17 Å^2
• Rotatable Bonds: 5