5-[5-(2H-indazol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine

• ChemBase ID: 828107
• Molecular Formular: C19H18N6O
• Molecular Mass: 346.38582
• Monoisotopic Mass: 346.15420923
• SMILES: c1(nc(Cn2nc3c(c2)cccc3)on1)c1c2c(cnc1C)CNCC2
• Canonical SMILES: Cc1ncc2c(c1c1noc(n1)Cn1cc3c(n1)cccc3)CCNC2
• InChI: InChI=1S/C19H18N6O/c1-12-18(15-6-7-20-8-14(15)9-21-12)19-22-17(26-24-19)11-25-10-13-4-2-3-5-16(13)23-25/h2-5,9-10,20H,6-8,11H2,1H3
• InChIKey: YTZGGSUVRLCQPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[5-(2H-indazol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-6-methyl-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 4-[5-(indazol-2-ylmethyl)-1,2,4-oxadiazol-3-yl]-3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 5-[5-(2H-indazol-2-ylmethyl)-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): -0.8117154
• LogD (pH = 7.4): 0.74845505
• Log P: 2.2947857
• Molar Refractivity: 119.9986 cm^3
• Polarizability: 38.500385 Å^3
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.11
• LOG S: -1.66
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 3