6-methoxy-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide

• ChemBase ID: 613834
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: n12c(nc(c1)CNC(=O)C1Cc3c(OC1)ccc(c3)OC)ccc(c2)C
• Canonical SMILES: COc1ccc2c(c1)CC(CO2)C(=O)NCc1cn2c(n1)ccc(c2)C
• InChI: InChI=1S/C20H21N3O3/c1-13-3-6-19-22-16(11-23(19)10-13)9-21-20(24)15-7-14-8-17(25-2)4-5-18(14)26-12-15/h3-6,8,10-11,15H,7,9,12H2,1-2H3,(H,21,24)
• InChIKey: QLBSFDGEYJFKLD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• IUPAC Traditional name: 6-methoxy-N-({6-methylimidazo[1,2-a]pyridin-2-yl}methyl)-3,4-dihydro-2H-1-benzopyran-3-carboxamide
• Synonyms: 6-methoxy-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-chromanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.806113
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.3052617
• LogD (pH = 7.4): 2.0161483
• Log P: 2.0434158
• Molar Refractivity: 98.7098 cm^3
• Polarizability: 37.522655 Å^3
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.28
• LOG S: -3.71
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 4