N-[2-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

• ChemBase ID: 553004
• Molecular Formular: C14H13N5O3
• Molecular Mass: 299.28472
• Monoisotopic Mass: 299.1018393
• SMILES: c1(n2c(nc1)cccc2)C(=O)NCCn1[nH]c(=O)ccc1=O
• Canonical SMILES: O=c1ccc(=O)n([nH]1)CCNC(=O)c1cnc2n1cccc2
• InChI: InChI=1S/C14H13N5O3/c20-12-4-5-13(21)19(17-12)8-6-15-14(22)10-9-16-11-3-1-2-7-18(10)11/h1-5,7,9H,6,8H2,(H,15,22)(H,17,20)
• InChIKey: JTASNWPFHJHWFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3,6-dioxo-1,2,3,6-tetrahydropyridazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-[2-(3,6-dioxo-2H-pyridazin-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
• Synonyms: N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.25758
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.4926457
• LogD (pH = 7.4): -1.4096775
• Log P: -1.4079425
• Molar Refractivity: 79.3681 cm^3
• Polarizability: 28.721798 Å^3
• Polar Surface Area: 95.81 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.65
• LOG S: -2.14
• Polar Surface Area: 101.26 Å^2
• Rotatable Bonds: 4