({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)({[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl})amine

• ChemBase ID: 471829
• Molecular Formular: C21H24N6OS
• Molecular Mass: 408.51986
• Monoisotopic Mass: 408.17323042
• SMILES: c1(nc2n(c1CNCc1nc3n(c(cc(c3)C)C)c1)ccs2)C(=O)N1CCCC1
• Canonical SMILES: Cc1cc(C)n2c(c1)nc(c2)CNCc1c(nc2n1ccs2)C(=O)N1CCCC1
• InChI: InChI=1S/C21H24N6OS/c1-14-9-15(2)27-13-16(23-18(27)10-14)11-22-12-17-19(20(28)25-5-3-4-6-25)24-21-26(17)7-8-29-21/h7-10,13,22H,3-6,11-12H2,1-2H3
• InChIKey: HWUNMAGHMGZBMG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)({[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl})amine
• IUPAC Traditional name: ({5,7-dimethylimidazo[1,2-a]pyridin-2-yl}methyl)({[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl})amine
• Synonyms: 1-(5,7-dimethylimidazo[1,2-a]pyridin-2-yl)-N-{[6-(1-pyrrolidinylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.255527
• LogD (pH = 7.4): 1.5433043
• Log P: 1.6664722
• Molar Refractivity: 126.8384 cm^3
• Polarizability: 42.75267 Å^3
• Polar Surface Area: 66.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.99
• LOG S: -5.3
• Polar Surface Area: 66.94 Å^2
• Rotatable Bonds: 5