5-(6-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 515726
• Molecular Formular: C20H19N5O3
• Molecular Mass: 377.39656
• Monoisotopic Mass: 377.14878949
• SMILES: c1(nn2c(c1)CN(C(=O)c1cc(=O)[nH]c(c1)C)CC2)C(=O)Nc1ccccc1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)C(=O)c1cc(C)[nH]c(=O)c1)Nc1ccccc1
• InChI: InChI=1S/C20H19N5O3/c1-13-9-14(10-18(26)21-13)20(28)24-7-8-25-16(12-24)11-17(23-25)19(27)22-15-5-3-2-4-6-15/h2-6,9-11H,7-8,12H2,1H3,(H,21,26)(H,22,27)
• InChIKey: DVTDYRLOTJHUSG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(6-methyl-2-oxo-1,2-dihydropyridine-4-carbonyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(2-methyl-6-oxo-1H-pyridine-4-carbonyl)-N-phenyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(6-methyl-2-oxo-1,2-dihydropyridin-4-yl)carbonyl]-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.955643
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.6729399
• LogD (pH = 7.4): 0.67283523
• Log P: 0.67294246
• Molar Refractivity: 118.0652 cm^3
• Polarizability: 38.677017 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.48
• LOG S: -2.36
• Polar Surface Area: 100.09 Å^2
• Rotatable Bonds: 3