N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 576282
• Molecular Formular: C20H21N3O2
• Molecular Mass: 335.39964
• Monoisotopic Mass: 335.16337693
• SMILES: n12c(nc(c2)C)ccc(c1)C(=O)NC1c2c(cc(cc2)OC)CCC1
• Canonical SMILES: COc1ccc2c(c1)CCCC2NC(=O)c1ccc2n(c1)cc(n2)C
• InChI: InChI=1S/C20H21N3O2/c1-13-11-23-12-15(6-9-19(23)21-13)20(24)22-18-5-3-4-14-10-16(25-2)7-8-17(14)18/h6-12,18H,3-5H2,1-2H3,(H,22,24)
• InChIKey: GHBJVVOEFVNTDD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• IUPAC Traditional name: N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide
• Synonyms: N-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylimidazo[1,2-a]pyridine-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.380733
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8658651
• LogD (pH = 7.4): 2.4998953
• Log P: 2.5208306
• Molar Refractivity: 97.7606 cm^3
• Polarizability: 36.552525 Å^3
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.21
• LOG S: -4.39
• Polar Surface Area: 55.63 Å^2
• Rotatable Bonds: 3