N-[2-(6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 588297
• Molecular Formular: C20H19N5O2
• Molecular Mass: 361.39716
• Monoisotopic Mass: 361.15387487
• SMILES: n12c(C(=O)NCCN3N=C(CCC3=O)c3ccccc3)cccc1ccn2
• Canonical SMILES: O=C1CCC(=NN1CCNC(=O)c1cccc2n1ncc2)c1ccccc1
• InChI: InChI=1S/C20H19N5O2/c26-19-10-9-17(15-5-2-1-3-6-15)23-24(19)14-13-21-20(27)18-8-4-7-16-11-12-22-25(16)18/h1-8,11-12H,9-10,13-14H2,(H,21,27)
• InChIKey: OONBZXXZBWCQGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[2-(6-oxo-3-phenyl-4,5-dihydropyridazin-1-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[2-(6-oxo-3-phenyl-5,6-dihydropyridazin-1(4H)-yl)ethyl]pyrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.32
• Polar Surface Area: 79.07 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4
• H Donor: 1
• Log P: 0.21

JChem

• Molar Refractivity: 112.3916 cm^3
• Polarizability: 38.628418 Å^3
• Polar Surface Area: 79.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 14.671933
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5518909
• LogD (pH = 7.4): 1.5519645
• Log P: 1.5519656