N-[2-(6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl)ethyl]imidazo[1,2-a]pyridine-6-carboxamide

• ChemBase ID: 402405
• Molecular Formular: C20H19N5O2
• Molecular Mass: 361.39716
• Monoisotopic Mass: 361.15387487
• SMILES: c1(cn2c(ncc2)cc1)C(=O)NCCN1N=C(CCC1=O)c1ccccc1
• Canonical SMILES: O=C1CCC(=NN1CCNC(=O)c1ccc2n(c1)ccn2)c1ccccc1
• InChI: InChI=1S/C20H19N5O2/c26-19-9-7-17(15-4-2-1-3-5-15)23-25(19)13-11-22-20(27)16-6-8-18-21-10-12-24(18)14-16/h1-6,8,10,12,14H,7,9,11,13H2,(H,22,27)
• InChIKey: IIIOIPQTLKTYHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.259487
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.2558905
• LogD (pH = 7.4): 0.8634011
• Log P: 0.8883309
• Molar Refractivity: 102.4726 cm^3
• Polarizability: 37.968998 Å^3
• Polar Surface Area: 79.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.06
• LOG S: -3.09
• Polar Surface Area: 79.07 Å^2
• Rotatable Bonds: 5