N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 500380
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: c1(C(=O)N(CCN(C)C)C2CCCC2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: CN(CCN(C(=O)c1ccc2n(c1)cc(n2)c1ccccc1)C1CCCC1)C
• InChI: InChI=1S/C23H28N4O/c1-25(2)14-15-27(20-10-6-7-11-20)23(28)19-12-13-22-24-21(17-26(22)16-19)18-8-4-3-5-9-18/h3-5,8-9,12-13,16-17,20H,6-7,10-11,14-15H2,1-2H3
• InChIKey: HDDXMOXCDSOXPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-cyclopentyl-N-[2-(dimethylamino)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.42263305
• LogD (pH = 7.4): 2.3625076
• Log P: 3.463964
• Molar Refractivity: 114.0047 cm^3
• Polarizability: 44.482075 Å^3
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.08
• LOG S: -4.58
• Polar Surface Area: 40.85 Å^2
• Rotatable Bonds: 6