N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide

• ChemBase ID: 328366
• Molecular Formular: C15H17N5O2
• Molecular Mass: 299.32778
• Monoisotopic Mass: 299.13822481
• SMILES: N1=C(C(=O)NCCc2nc3n(c2)cccc3)CCC(=O)N1C
• Canonical SMILES: CN1N=C(CCC1=O)C(=O)NCCc1nc2n(c1)cccc2
• InChI: InChI=1S/C15H17N5O2/c1-19-14(21)6-5-12(18-19)15(22)16-8-7-11-10-20-9-3-2-4-13(20)17-11/h2-4,9-10H,5-8H2,1H3,(H,16,22)
• InChIKey: UVDJNDJTQNSKKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-methyl-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxamide
• IUPAC Traditional name: N-(2-{imidazo[1,2-a]pyridin-2-yl}ethyl)-1-methyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
• Synonyms: N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.797176
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.7214509
• LogD (pH = 7.4): -0.019478865
• Log P: 0.0069654295
• Molar Refractivity: 81.4461 cm^3
• Polarizability: 30.468582 Å^3
• Polar Surface Area: 79.07 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.42
• LOG S: -4.53
• Polar Surface Area: 79.07 Å^2
• Rotatable Bonds: 4