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

• ChemBase ID: 822527
• Molecular Formular: C19H22N6O
• Molecular Mass: 350.41758
• Monoisotopic Mass: 350.18550935
• SMILES: c1(c2nc(c3c4c(cnc3C)CNCC4)no2)c2c(n[nH]1)CCC(C2)C
• Canonical SMILES: CC1CCc2c(C1)c([nH]n2)c1onc(n1)c1c(C)ncc2c1CCNC2
• InChI: InChI=1S/C19H22N6O/c1-10-3-4-15-14(7-10)17(24-23-15)19-22-18(25-26-19)16-11(2)21-9-12-8-20-6-5-13(12)16/h9-10,20H,3-8H2,1-2H3,(H,23,24)
• InChIKey: OGKMKALZKBFXAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-[5-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine
• IUPAC Traditional name: 3-methyl-4-[5-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydro-2,7-naphthyridine
• Synonyms: 6-methyl-5-[5-(5-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.769075
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.5925182
• LogD (pH = 7.4): 0.9665065
• Log P: 2.1659083
• Molar Refractivity: 121.3509 cm^3
• Polarizability: 38.238987 Å^3
• Polar Surface Area: 92.52 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 2.07
• LOG S: -2.52
• Polar Surface Area: 92.52 Å^2
• Rotatable Bonds: 2