6-chloro-3-({[3-(1H-indol-1-yl)propyl]amino}methyl)-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide

• ChemBase ID: 737548
• Molecular Formular: C22H24ClN5O
• Molecular Mass: 409.91186
• Monoisotopic Mass: 409.16693809
• SMILES: c1(nc2n(c1CNCCCn1ccc3c1cccc3)cc(cc2)Cl)C(=O)N(C)C
• Canonical SMILES: Clc1ccc2n(c1)c(CNCCCn1ccc3c1cccc3)c(n2)C(=O)N(C)C
• InChI: InChI=1S/C22H24ClN5O/c1-26(2)22(29)21-19(28-15-17(23)8-9-20(28)25-21)14-24-11-5-12-27-13-10-16-6-3-4-7-18(16)27/h3-4,6-10,13,15,24H,5,11-12,14H2,1-2H3
• InChIKey: WPVZSRUZBWOPMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-chloro-3-({[3-(1H-indol-1-yl)propyl]amino}methyl)-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• IUPAC Traditional name: 6-chloro-3-({[3-(indol-1-yl)propyl]amino}methyl)-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide
• Synonyms: 6-chloro-3-({[3-(1H-indol-1-yl)propyl]amino}methyl)-N,N-dimethylimidazo[1,2-a]pyridine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.21126762
• LogD (pH = 7.4): 1.3918635
• Log P: 2.7099054
• Molar Refractivity: 117.3041 cm^3
• Polarizability: 45.287518 Å^3
• Polar Surface Area: 54.57 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.95
• LOG S: -5.68
• Polar Surface Area: 54.57 Å^2
• Rotatable Bonds: 7