N-(4-{4-[(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)amino]piperidin-1-yl}phenyl)-2,4-dimethylbenzamide

• ChemBase ID: 371170
• Molecular Formular: C29H33N5O
• Molecular Mass: 467.60522
• Monoisotopic Mass: 467.2685107
• SMILES: n12c(nc(c1)CCNC1CCN(c3ccc(NC(=O)c4c(cc(cc4)C)C)cc3)CC1)cccc2
• Canonical SMILES: Cc1ccc(c(c1)C)C(=O)Nc1ccc(cc1)N1CCC(CC1)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C29H33N5O/c1-21-6-11-27(22(2)19-21)29(35)32-24-7-9-26(10-8-24)33-17-13-23(14-18-33)30-15-12-25-20-34-16-4-3-5-28(34)31-25/h3-11,16,19-20,23,30H,12-15,17-18H2,1-2H3,(H,32,35)
• InChIKey: HTGHZFJCLHRFED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{4-[(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)amino]piperidin-1-yl}phenyl)-2,4-dimethylbenzamide
• IUPAC Traditional name: N-(4-{4-[(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)amino]piperidin-1-yl}phenyl)-2,4-dimethylbenzamide
• Synonyms: N-(4-{4-[(2-imidazo[1,2-a]pyridin-2-ylethyl)amino]-1-piperidinyl}phenyl)-2,4-dimethylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.94351
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.9686432
• LogD (pH = 7.4): 2.2080188
• Log P: 4.6730366
• Molar Refractivity: 144.9271 cm^3
• Polarizability: 53.78915 Å^3
• Polar Surface Area: 61.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 3.76
• LOG S: -7.33
• Polar Surface Area: 61.67 Å^2
• Rotatable Bonds: 7