N-[2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)ethyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide

• ChemBase ID: 545034
• Molecular Formular: C19H20N6O2
• Molecular Mass: 364.4011
• Monoisotopic Mass: 364.16477391
• SMILES: c12C(C(=O)NCCn3nc(ccc3=O)c3ccccc3)NCCc2[nH]cn1
• Canonical SMILES: O=C(C1NCCc2c1nc[nH]2)NCCn1nc(ccc1=O)c1ccccc1
• InChI: InChI=1S/C19H20N6O2/c26-16-7-6-14(13-4-2-1-3-5-13)24-25(16)11-10-21-19(27)18-17-15(8-9-20-18)22-12-23-17/h1-7,12,18,20H,8-11H2,(H,21,27)(H,22,23)
• InChIKey: RUYHHFGIWMSVHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6-oxo-3-phenyl-1,6-dihydropyridazin-1-yl)ethyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• IUPAC Traditional name: N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridine-4-carboxamide
• Synonyms: N-[2-(6-oxo-3-phenyl-1(6H)-pyridazinyl)ethyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.885227
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -1.1905594
• LogD (pH = 7.4): -0.051117092
• Log P: 0.04886986
• Molar Refractivity: 101.3662 cm^3
• Polarizability: 38.045868 Å^3
• Polar Surface Area: 102.48 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: -1.62
• LOG S: -1.78
• Polar Surface Area: 104.7 Å^2
• Rotatable Bonds: 5