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

• ChemBase ID: 785681
• Molecular Formular: C20H19N5O2
• Molecular Mass: 361.39716
• Monoisotopic Mass: 361.15387487
• SMILES: c1(nn2c(c1)CN(C(=O)c1cc(cnc1)C)CC2)C(=O)Nc1ccccc1
• Canonical SMILES: Cc1cncc(c1)C(=O)N1CCn2c(C1)cc(n2)C(=O)Nc1ccccc1
• InChI: InChI=1S/C20H19N5O2/c1-14-9-15(12-21-11-14)20(27)24-7-8-25-17(13-24)10-18(23-25)19(26)22-16-5-3-2-4-6-16/h2-6,9-12H,7-8,13H2,1H3,(H,22,26)
• InChIKey: GGRRFQJGRZBSQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(5-methylpyridine-3-carbonyl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(5-methylpyridine-3-carbonyl)-N-phenyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(5-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): 1.9307494
• LogD (pH = 7.4): 1.9453387
• Log P: 1.9455317
• Molar Refractivity: 114.4001 cm^3
• Polarizability: 37.855625 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: 1.6
• LOG S: -3.2
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 3