9-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane

• ChemBase ID: 605608
• Molecular Formular: C18H24ClN5O
• Molecular Mass: 361.86906
• Monoisotopic Mass: 361.16693809
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N1CCC2(N(CCN(C2)C)C)CC1
• Canonical SMILES: CN1CCN(C2(C1)CCN(CC2)C(=O)c1cn2c(n1)ccc(c2)Cl)C
• InChI: InChI=1S/C18H24ClN5O/c1-21-9-10-22(2)18(13-21)5-7-23(8-6-18)17(25)15-12-24-11-14(19)3-4-16(24)20-15/h3-4,11-12H,5-10,13H2,1-2H3
• InChIKey: JUEXEYGUWJPXFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
• IUPAC Traditional name: 9-{6-chloroimidazo[1,2-a]pyridine-2-carbonyl}-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
• Synonyms: 9-[(6-chloroimidazo[1,2-a]pyridin-2-yl)carbonyl]-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Rotatable Bonds: 1
• H Acceptors: 4
• H Donor: 0
• Log P: 0.65
• LOG S: -2.39
• Polar Surface Area: 44.09 Å^2

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.3374095
• LogD (pH = 7.4): -0.7154515
• Log P: 0.8451313
• Molar Refractivity: 100.6318 cm^3
• Polarizability: 38.02757 Å^3
• Polar Surface Area: 44.09 Å^2
• Rotatable Bonds: 1