5-(2-methoxypyridine-3-carbonyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 504534
• Molecular Formular: C20H19N5O3
• Molecular Mass: 377.39656
• Monoisotopic Mass: 377.14878949
• SMILES: c1(nn2c(c1)CN(C(=O)c1c(nccc1)OC)CC2)C(=O)Nc1ccccc1
• Canonical SMILES: COc1ncccc1C(=O)N1CCn2c(C1)cc(n2)C(=O)Nc1ccccc1
• InChI: InChI=1S/C20H19N5O3/c1-28-19-16(8-5-9-21-19)20(27)24-10-11-25-15(13-24)12-17(23-25)18(26)22-14-6-3-2-4-7-14/h2-9,12H,10-11,13H2,1H3,(H,22,26)
• InChIKey: SUGXTVRBGNBSCV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methoxypyridine-3-carbonyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(2-methoxypyridine-3-carbonyl)-N-phenyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(2-methoxypyridin-3-yl)carbonyl]-N-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.548348
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.8688326
• LogD (pH = 7.4): 1.8688928
• Log P: 1.8688966
• Molar Refractivity: 116.1356 cm^3
• Polarizability: 38.634712 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.88
• LOG S: -3.55
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 4