6-chloro-N,N-dimethyl-3-{[4-(3-methylphenoxy)piperidin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 361449
• Molecular Formular: C23H27ClN4O2
• Molecular Mass: 426.93908
• Monoisotopic Mass: 426.1822538
• SMILES: c1(c(n2c(n1)ccc(c2)Cl)CN1CCC(Oc2cc(ccc2)C)CC1)C(=O)N(C)C
• Canonical SMILES: Cc1cccc(c1)OC1CCN(CC1)Cc1c(nc2n1cc(Cl)cc2)C(=O)N(C)C
• InChI: InChI=1S/C23H27ClN4O2/c1-16-5-4-6-19(13-16)30-18-9-11-27(12-10-18)15-20-22(23(29)26(2)3)25-21-8-7-17(24)14-28(20)21/h4-8,13-14,18H,9-12,15H2,1-3H3
• InChIKey: XHEQSPQETMUYOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-N,N-dimethyl-3-{[4-(3-methylphenoxy)piperidin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-N,N-dimethyl-3-{[4-(3-methylphenoxy)piperidin-1-yl]methyl}imidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-chloro-N,N-dimethyl-3-{[4-(3-methylphenoxy)-1-piperidinyl]methyl}imidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.7481103
• LogD (pH = 7.4): 2.975569
• Log P: 3.0744674
• Molar Refractivity: 120.6866 cm^3
• Polarizability: 45.56896 Å^3
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.0
• LOG S: -4.36
• Polar Surface Area: 50.08 Å^2
• Rotatable Bonds: 5