6-methyl-N-(propan-2-yl)-5-[5-(pyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine-2-carboxamide

• ChemBase ID: 497634
• Molecular Formular: C19H21N7O2
• Molecular Mass: 379.41574
• Monoisotopic Mass: 379.17567295
• SMILES: c1(nc(on1)c1cnncc1)c1c2c(CN(C(=O)NC(C)C)CC2)cnc1C
• Canonical SMILES: CC(NC(=O)N1CCc2c(C1)cnc(c2c1noc(n1)c1ccnnc1)C)C
• InChI: InChI=1S/C19H21N7O2/c1-11(2)23-19(27)26-7-5-15-14(10-26)8-20-12(3)16(15)17-24-18(28-25-17)13-4-6-21-22-9-13/h4,6,8-9,11H,5,7,10H2,1-3H3,(H,23,27)
• InChIKey: DPLCRTOBGUHVPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-(propan-2-yl)-5-[5-(pyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-1,2,3,4-tetrahydro-2,7-naphthyridine-2-carboxamide
• IUPAC Traditional name: N-isopropyl-6-methyl-5-[5-(pyridazin-4-yl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
• Synonyms: N-isopropyl-6-methyl-5-[5-(4-pyridazinyl)-1,2,4-oxadiazol-3-yl]-3,4-dihydro-2,7-naphthyridine-2(1H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.949257
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.7768866
• LogD (pH = 7.4): 0.79990935
• Log P: 0.8002114
• Molar Refractivity: 126.1921 cm^3
• Polarizability: 39.61147 Å^3
• Polar Surface Area: 109.93 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: -0.07
• LOG S: -3.21
• Polar Surface Area: 109.93 Å^2
• Rotatable Bonds: 3