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

• ChemBase ID: 496771
• Molecular Formular: C21H27N3O3
• Molecular Mass: 369.45738
• Monoisotopic Mass: 369.20524174
• SMILES: c1(n2c(nc1)CCCC2)NC(=O)C1(Oc2c(c(c(c(c2C)C)O)C)CC1)C
• Canonical SMILES: Cc1c2OC(C)(CCc2c(c(c1C)O)C)C(=O)Nc1cnc2n1CCCC2
• InChI: InChI=1S/C21H27N3O3/c1-12-13(2)19-15(14(3)18(12)25)8-9-21(4,27-19)20(26)23-17-11-22-16-7-5-6-10-24(16)17/h11,25H,5-10H2,1-4H3,(H,23,26)
• InChIKey: KFCTYXMAHCMFQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Donor: 2
• LogD (pH = 5.5): 3.4178052
• LogD (pH = 7.4): 4.0540347
• Log P: 4.0828714
• Molar Refractivity: 105.3986 cm^3
• Polarizability: 39.478382 Å^3
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 10.648895
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 2
• Log P: 3.42
• LOG S: -4.23
• Polar Surface Area: 76.38 Å^2
• Rotatable Bonds: 2
• H Acceptors: 4