6-methyl-5-{5-[4-(piperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 856585
• Molecular Formular: C22H25N5O
• Molecular Mass: 375.4668
• Monoisotopic Mass: 375.20591045
• SMILES: c1(nc(on1)c1ccc(N2CCCCC2)cc1)c1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)c1ccc(cc1)N1CCCCC1)CCNC2
• InChI: InChI=1S/C22H25N5O/c1-15-20(19-9-10-23-13-17(19)14-24-15)21-25-22(28-26-21)16-5-7-18(8-6-16)27-11-3-2-4-12-27/h5-8,14,23H,2-4,9-13H2,1H3
• InChIKey: BIQVMOCDVJJDNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-{5-[4-(piperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 3-methyl-4-{5-[4-(piperidin-1-yl)phenyl]-1,2,4-oxadiazol-3-yl}-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 6-methyl-5-{5-[4-(1-piperidinyl)phenyl]-1,2,4-oxadiazol-3-yl}-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.6069192
• LogD (pH = 7.4): 2.1746745
• Log P: 3.7209089
• Molar Refractivity: 132.7496 cm^3
• Polarizability: 42.728065 Å^3
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.44
• LOG S: -3.87
• Polar Surface Area: 67.08 Å^2
• Rotatable Bonds: 3