5-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 383180
• Molecular Formular: C17H23N5O
• Molecular Mass: 313.39742
• Monoisotopic Mass: 313.19026038
• SMILES: c1(nn2c(c1)CN(CC2)CC(C)C)C(=O)NCc1ncccc1
• Canonical SMILES: CC(CN1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1)C
• InChI: InChI=1S/C17H23N5O/c1-13(2)11-21-7-8-22-15(12-21)9-16(20-22)17(23)19-10-14-5-3-4-6-18-14/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,19,23)
• InChIKey: FQWLUDDEGJSFCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(2-methylpropyl)-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-isobutyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.902686
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.14554755
• LogD (pH = 7.4): 1.3052509
• Log P: 1.3837212
• Molar Refractivity: 100.6934 cm^3
• Polarizability: 34.119446 Å^3
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.19
• LOG S: -1.66
• Polar Surface Area: 63.05 Å^2
• Rotatable Bonds: 5