4-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}-1-methyl-1,4,9-triazaspiro[5.5]undecane

• ChemBase ID: 613151
• Molecular Formular: C18H24FN5O
• Molecular Mass: 345.4144632
• Monoisotopic Mass: 345.19648863
• SMILES: c1(nc2n(c1F)ccc(c2)C)C(=O)N1CC2(N(CC1)C)CCNCC2
• Canonical SMILES: Cc1ccn2c(c1)nc(c2F)C(=O)N1CCN(C2(C1)CCNCC2)C
• InChI: InChI=1S/C18H24FN5O/c1-13-3-8-24-14(11-13)21-15(16(24)19)17(25)23-10-9-22(2)18(12-23)4-6-20-7-5-18/h3,8,11,20H,4-7,9-10,12H2,1-2H3
• InChIKey: KQFSGIURMCOKEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}-1-methyl-1,4,9-triazaspiro[5.5]undecane
• IUPAC Traditional name: 4-{3-fluoro-7-methylimidazo[1,2-a]pyridine-2-carbonyl}-1-methyl-1,4,9-triazaspiro[5.5]undecane
• Synonyms: 4-[(3-fluoro-7-methylimidazo[1,2-a]pyridin-2-yl)carbonyl]-1-methyl-1,4,9-triazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.3271897
• LogD (pH = 7.4): -2.044102
• Log P: 0.40292612
• Molar Refractivity: 95.7444 cm^3
• Polarizability: 35.745747 Å^3
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.79
• LOG S: -2.39
• Polar Surface Area: 52.88 Å^2
• Rotatable Bonds: 1