1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}-3-propoxypiperidine

• ChemBase ID: 511751
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: c1(C(=O)N2CC(OCCC)CCC2)cn2c(nc(c2)c2ccccc2)cc1
• Canonical SMILES: CCCOC1CCCN(C1)C(=O)c1ccc2n(c1)cc(n2)c1ccccc1
• InChI: InChI=1S/C22H25N3O2/c1-2-13-27-19-9-6-12-24(15-19)22(26)18-10-11-21-23-20(16-25(21)14-18)17-7-4-3-5-8-17/h3-5,7-8,10-11,14,16,19H,2,6,9,12-13,15H2,1H3
• InChIKey: PLVBODGZLNDPHP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}-3-propoxypiperidine
• IUPAC Traditional name: 1-{2-phenylimidazo[1,2-a]pyridine-6-carbonyl}-3-propoxypiperidine
• Synonyms: 2-phenyl-6-[(3-propoxypiperidin-1-yl)carbonyl]imidazo[1,2-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.200802
• LogD (pH = 7.4): 3.385543
• Log P: 3.388537
• Molar Refractivity: 107.0997 cm^3
• Polarizability: 41.779728 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.57
• LOG S: -4.04
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 5