N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide

• ChemBase ID: 743707
• Molecular Formular: C18H21N3O3
• Molecular Mass: 327.37764
• Monoisotopic Mass: 327.15829155
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1Cc2c(OC1)c(OC)ccc2
• Canonical SMILES: COc1cccc2c1OCC(C2)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C18H21N3O3/c1-23-14-6-4-5-12-9-13(11-24-17(12)14)18(22)20-16-10-19-15-7-2-3-8-21(15)16/h4-6,10,13H,2-3,7-9,11H2,1H3,(H,20,22)
• InChIKey: UVCWHYQESSITTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• IUPAC Traditional name: N-{5H,6H,7H,8H-imidazo[1,2-a]pyridin-3-yl}-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• Synonyms: 8-methoxy-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)chromane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.671628
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.26546
• LogD (pH = 7.4): 1.9141073
• Log P: 1.9444478
• Molar Refractivity: 90.3 cm^3
• Polarizability: 34.26475 Å^3
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.08
• LOG S: -3.36
• Polar Surface Area: 65.38 Å^2
• Rotatable Bonds: 3