N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-3,4-dihydro-2H-1-benzopyran-3-carboxamide

• ChemBase ID: 329757
• Molecular Formular: C19H19N3O2
• Molecular Mass: 321.37306
• Monoisotopic Mass: 321.14772686
• SMILES: c1(n2c(nc1)cccc2)CN(C(=O)C1Cc2c(OC1)cccc2)C
• Canonical SMILES: CN(C(=O)C1COc2c(C1)cccc2)Cc1cnc2n1cccc2
• InChI: InChI=1S/C19H19N3O2/c1-21(12-16-11-20-18-8-4-5-9-22(16)18)19(23)15-10-14-6-2-3-7-17(14)24-13-15/h2-9,11,15H,10,12-13H2,1H3
• InChIKey: OSMCNKWLXHPGLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• IUPAC Traditional name: N-{imidazo[1,2-a]pyridin-3-ylmethyl}-N-methyl-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• Synonyms: N-(imidazo[1,2-a]pyridin-3-ylmethyl)-N-methylchromane-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.1110831
• LogD (pH = 7.4): 1.7242709
• Log P: 1.749871
• Molar Refractivity: 92.5018 cm^3
• Polarizability: 35.07907 Å^3
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.14
• LOG S: -3.37
• Polar Surface Area: 46.84 Å^2
• Rotatable Bonds: 3