5-(1-acetylpiperidin-4-yl)-N-phenyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 625499
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c1(nn2c(c1)CN(C1CCN(C(=O)C)CC1)CC2)C(=O)Nc1ccccc1
• Canonical SMILES: CC(=O)N1CCC(CC1)N1CCn2c(C1)cc(n2)C(=O)Nc1ccccc1
• InChI: InChI=1S/C20H25N5O2/c1-15(26)23-9-7-17(8-10-23)24-11-12-25-18(14-24)13-19(22-25)20(27)21-16-5-3-2-4-6-16/h2-6,13,17H,7-12,14H2,1H3,(H,21,27)
• InChIKey: QMFAYUUOXKHZFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.550908
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.010290479
• LogD (pH = 7.4): 0.7917353
• Log P: 0.8224144
• Molar Refractivity: 116.2964 cm^3
• Polarizability: 39.374134 Å^3
• Polar Surface Area: 70.47 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: -0.27
• LOG S: -2.96
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 3