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

• ChemBase ID: 773547
• Molecular Formular: C18H18ClN5O2
• Molecular Mass: 371.82082
• Monoisotopic Mass: 371.11490252
• SMILES: c1(nc(on1)COC)c1c2c(CN(c3ncccc3Cl)CC2)cnc1C
• Canonical SMILES: COCc1onc(n1)c1c(C)ncc2c1CCN(C2)c1ncccc1Cl
• InChI: InChI=1S/C18H18ClN5O2/c1-11-16(17-22-15(10-25-2)26-23-17)13-5-7-24(9-12(13)8-21-11)18-14(19)4-3-6-20-18/h3-4,6,8H,5,7,9-10H2,1-2H3
• InChIKey: RFYFZOBXESVUKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-chloropyridin-2-yl)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 2-(3-chloropyridin-2-yl)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-3,4-dihydro-1H-2,7-naphthyridine
• Synonyms: 2-(3-chloro-2-pyridinyl)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 2.8169768
• LogD (pH = 7.4): 3.0084844
• Log P: 3.0112987
• Molar Refractivity: 110.7261 cm^3
• Polarizability: 37.435 Å^3
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.23
• LOG S: -3.82
• Polar Surface Area: 77.17 Å^2
• Rotatable Bonds: 4