6-(4-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}piperidine-1-carbonyl)-2-methyl-2,3-dihydropyridazin-3-one

• ChemBase ID: 861973
• Molecular Formular: C18H26N6O2
• Molecular Mass: 358.43804
• Monoisotopic Mass: 358.2117241
• SMILES: c1(nn(c(=O)cc1)C)C(=O)N1CCC(c2n(ccn2)CCN(C)C)CC1
• Canonical SMILES: CN(CCn1ccnc1C1CCN(CC1)C(=O)c1ccc(=O)n(n1)C)C
• InChI: InChI=1S/C18H26N6O2/c1-21(2)12-13-23-11-8-19-17(23)14-6-9-24(10-7-14)18(26)15-4-5-16(25)22(3)20-15/h4-5,8,11,14H,6-7,9-10,12-13H2,1-3H3
• InChIKey: NVYPLFLGUNEBKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(4-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}piperidine-1-carbonyl)-2-methyl-2,3-dihydropyridazin-3-one
• IUPAC Traditional name: 6-(4-{1-[2-(dimethylamino)ethyl]imidazol-2-yl}piperidine-1-carbonyl)-2-methylpyridazin-3-one
• Synonyms: 6-[(4-{1-[2-(dimethylamino)ethyl]-1H-imidazol-2-yl}-1-piperidinyl)carbonyl]-2-methyl-3(2H)-pyridazinone

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.4527364
• LogD (pH = 7.4): -1.487802
• Log P: 0.043399584
• Molar Refractivity: 100.8521 cm^3
• Polarizability: 37.681137 Å^3
• Polar Surface Area: 74.04 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.54
• LOG S: -1.81
• Polar Surface Area: 76.26 Å^2
• Rotatable Bonds: 5