N-methyl-N-[3-(oxolan-2-yl)propyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 864218
• Molecular Formular: C22H25N3O2
• Molecular Mass: 363.4528
• Monoisotopic Mass: 363.19467706
• SMILES: c1(cn2c(nc(c2)c2ccccc2)cc1)C(=O)N(CCCC1OCCC1)C
• Canonical SMILES: CN(C(=O)c1ccc2n(c1)cc(n2)c1ccccc1)CCCC1CCCO1
• InChI: InChI=1S/C22H25N3O2/c1-24(13-5-9-19-10-6-14-27-19)22(26)18-11-12-21-23-20(16-25(21)15-18)17-7-3-2-4-8-17/h2-4,7-8,11-12,15-16,19H,5-6,9-10,13-14H2,1H3
• InChIKey: VWNJETVGMRXJRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[3-(oxolan-2-yl)propyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-methyl-N-[3-(oxolan-2-yl)propyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-methyl-2-phenyl-N-[3-(tetrahydrofuran-2-yl)propyl]imidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8979805
• LogD (pH = 7.4): 3.083519
• Log P: 3.086529
• Molar Refractivity: 107.3371 cm^3
• Polarizability: 41.779762 Å^3
• Polar Surface Area: 46.84 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: 2.2
• LOG S: -3.73
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 6