7-methyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 657959
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: c1(nc2n(c1)ccc(c2)C)C(=O)NCCN1CC(c2ccccc2)CCC1
• Canonical SMILES: Cc1ccn2c(c1)nc(c2)C(=O)NCCN1CCCC(C1)c1ccccc1
• InChI: InChI=1S/C22H26N4O/c1-17-9-12-26-16-20(24-21(26)14-17)22(27)23-10-13-25-11-5-8-19(15-25)18-6-3-2-4-7-18/h2-4,6-7,9,12,14,16,19H,5,8,10-11,13,15H2,1H3,(H,23,27)
• InChIKey: LFVMCNDNHXXNGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 7-methyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 7-methyl-N-[2-(3-phenylpiperidin-1-yl)ethyl]imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.667247
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.45065948
• LogD (pH = 7.4): 2.2274745
• Log P: 3.100925
• Molar Refractivity: 109.3084 cm^3
• Polarizability: 41.102055 Å^3
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.22
• LOG S: -4.59
• Polar Surface Area: 49.64 Å^2
• Rotatable Bonds: 5