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

• ChemBase ID: 420739
• Molecular Formular: C20H23N7O
• Molecular Mass: 377.44292
• Monoisotopic Mass: 377.19640839
• SMILES: c1(nc(on1)C1CCN(c2ncccn2)CC1)c1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)C1CCN(CC1)c1ncccn1)CCNC2
• InChI: InChI=1S/C20H23N7O/c1-13-17(16-3-8-21-11-15(16)12-24-13)18-25-19(28-26-18)14-4-9-27(10-5-14)20-22-6-2-7-23-20/h2,6-7,12,14,21H,3-5,8-11H2,1H3
• InChIKey: DYLZQIMKGYLZFW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 7
• H Donor: 1
• LogD (pH = 5.5): -1.1552024
• LogD (pH = 7.4): 0.4069423
• Log P: 1.9537332
• Molar Refractivity: 118.3532 cm^3
• Polarizability: 40.17655 Å^3
• Polar Surface Area: 92.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 1
• Log P: 0.66
• LOG S: -1.51
• Polar Surface Area: 92.86 Å^2
• Rotatable Bonds: 3