{[4-(1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidin-2-yl)phenyl]methyl}dimethylamine

• ChemBase ID: 346869
• Molecular Formular: C22H26N4O
• Molecular Mass: 362.46804
• Monoisotopic Mass: 362.21066147
• SMILES: c1(C(=O)N2C(c3ccc(CN(C)C)cc3)CCCC2)n2c(nc1)cccc2
• Canonical SMILES: CN(Cc1ccc(cc1)C1CCCCN1C(=O)c1cnc2n1cccc2)C
• InChI: InChI=1S/C22H26N4O/c1-24(2)16-17-9-11-18(12-10-17)19-7-3-5-14-26(19)22(27)20-15-23-21-8-4-6-13-25(20)21/h4,6,8-13,15,19H,3,5,7,14,16H2,1-2H3
• InChIKey: LBUSBKAXIOVPIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidin-2-yl)phenyl]methyl}dimethylamine
• IUPAC Traditional name: {[4-(1-{imidazo[1,2-a]pyridine-3-carbonyl}piperidin-2-yl)phenyl]methyl}dimethylamine
• Synonyms: 1-{4-[1-(imidazo[1,2-a]pyridin-3-ylcarbonyl)-2-piperidinyl]phenyl}-N,N-dimethylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6842996
• LogD (pH = 7.4): 1.0257195
• Log P: 2.553546
• Molar Refractivity: 109.6532 cm^3
• Polarizability: 41.2491 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.59
• LOG S: -4.05
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 4