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

• ChemBase ID: 631335
• Molecular Formular: C20H19N5O2
• Molecular Mass: 361.39716
• Monoisotopic Mass: 361.15387487
• SMILES: c1(nn2c(c1)CN(C(=O)c1cnc(cc1)C)CC2)C(=O)Nc1ccccc1
• Canonical SMILES: Cc1ccc(cn1)C(=O)N1CCn2c(C1)cc(n2)C(=O)Nc1ccccc1
• InChI: InChI=1S/C20H19N5O2/c1-14-7-8-15(12-21-14)20(27)24-9-10-25-17(13-24)11-18(23-25)19(26)22-16-5-3-2-4-6-16/h2-8,11-12H,9-10,13H2,1H3,(H,22,26)
• InChIKey: NPEDHEFIMKXYIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(6-methylpyridine-3-carbonyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(6-methylpyridine-3-carbonyl)-N-phenyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(6-methylpyridin-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: 4
• H Donor: 1
• LogD (pH = 5.5): 1.5349408
• LogD (pH = 7.4): 1.5631055
• Log P: 1.5634805
• Molar Refractivity: 113.9504 cm^3
• Polarizability: 37.855568 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.53
• LOG S: -2.69
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 3