2-{imidazo[1,2-a]pyridine-6-carbonyl}-1,2,3,4-tetrahydroisoquinoline

• ChemBase ID: 852053
• Molecular Formular: C17H15N3O
• Molecular Mass: 277.3205
• Monoisotopic Mass: 277.12151212
• SMILES: c1(C(=O)N2Cc3c(CC2)cccc3)cn2c(ncc2)cc1
• Canonical SMILES: O=C(c1ccc2n(c1)ccn2)N1CCc2c(C1)cccc2
• InChI: InChI=1S/C17H15N3O/c21-17(15-5-6-16-18-8-10-19(16)12-15)20-9-7-13-3-1-2-4-14(13)11-20/h1-6,8,10,12H,7,9,11H2
• InChIKey: YJSRZIIYGOKMDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{imidazo[1,2-a]pyridine-6-carbonyl}-1,2,3,4-tetrahydroisoquinoline
• IUPAC Traditional name: 2-{imidazo[1,2-a]pyridine-6-carbonyl}-3,4-dihydro-1H-isoquinoline
• Synonyms: 2-(imidazo[1,2-a]pyridin-6-ylcarbonyl)-1,2,3,4-tetrahydroisoquinoline

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.195169
• LogD (pH = 7.4): 1.7975564
• Log P: 1.8219035
• Molar Refractivity: 82.7304 cm^3
• Polarizability: 30.503942 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.5
• LOG S: -2.5
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 1