6-chloro-N-methyl-N-[1-(3-phenylpropyl)piperidin-3-yl]imidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 638539
• Molecular Formular: C23H27ClN4O
• Molecular Mass: 410.93968
• Monoisotopic Mass: 410.18733918
• SMILES: c1(nc2n(c1)cc(cc2)Cl)C(=O)N(C1CN(CCCc2ccccc2)CCC1)C
• Canonical SMILES: Clc1ccc2n(c1)cc(n2)C(=O)N(C1CCCN(C1)CCCc1ccccc1)C
• InChI: InChI=1S/C23H27ClN4O/c1-26(23(29)21-17-28-15-19(24)11-12-22(28)25-21)20-10-6-14-27(16-20)13-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-12,15,17,20H,5-6,9-10,13-14,16H2,1H3
• InChIKey: PMCQLRMCSZXJJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.00401
• LogD (pH = 7.4): 2.7280734
• Log P: 3.989349
• Molar Refractivity: 118.4399 cm^3
• Polarizability: 44.88902 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.29
• LOG S: -5.2
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6