6-methyl-2-(pyrazin-2-yl)-5-[5-(thiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 827808
• Molecular Formular: C19H16N6OS
• Molecular Mass: 376.43494
• Monoisotopic Mass: 376.11063016
• SMILES: c1(nc(c2cscc2)on1)c1c2c(CN(c3nccnc3)CC2)cnc1C
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)c1cscc1)CCN(C2)c1cnccn1
• InChI: InChI=1S/C19H16N6OS/c1-12-17(18-23-19(26-24-18)13-3-7-27-11-13)15-2-6-25(10-14(15)8-22-12)16-9-20-4-5-21-16/h3-5,7-9,11H,2,6,10H2,1H3
• InChIKey: UHDCIAXIOGYRNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-2-(pyrazin-2-yl)-5-[5-(thiophen-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 6-methyl-2-(pyrazin-2-yl)-5-[5-(thiophen-3-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridine
• Synonyms: 6-methyl-2-(2-pyrazinyl)-5-[5-(3-thienyl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.8887482
• LogD (pH = 7.4): 3.021743
• Log P: 3.0237536
• Molar Refractivity: 125.0777 cm^3
• Polarizability: 39.200943 Å^3
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.67
• LOG S: -4.23
• Polar Surface Area: 80.83 Å^2
• Rotatable Bonds: 3