5-[5-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 457780
• Molecular Formular: C20H20N6O
• Molecular Mass: 360.4124
• Monoisotopic Mass: 360.16985929
• SMILES: c1(nc(on1)CCc1nc2n(c1)cccc2)c1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)CCc1nc3n(c1)cccc3)CCNC2
• InChI: InChI=1S/C20H20N6O/c1-13-19(16-7-8-21-10-14(16)11-22-13)20-24-18(27-25-20)6-5-15-12-26-9-3-2-4-17(26)23-15/h2-4,9,11-12,21H,5-8,10H2,1H3
• InChIKey: YJEREVQOWFCUER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 4-[5-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 5-[5-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.9866707
• LogD (pH = 7.4): 0.41708457
• Log P: 2.0041497
• Molar Refractivity: 114.2956 cm^3
• Polarizability: 38.903534 Å^3
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 0.89
• LOG S: -1.58
• Polar Surface Area: 81.14 Å^2
• Rotatable Bonds: 4