5-{2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-N-tert-butylpyridine-3-sulfonamide

• ChemBase ID: 313069
• Molecular Formular: C15H17FN6O2S
• Molecular Mass: 364.3978832
• Monoisotopic Mass: 364.11177303
• SMILES: c1(cncc(c1)c1cn2c(c(c1)F)nc(n2)N)S(=O)(=O)NC(C)(C)C
• Canonical SMILES: Nc1nn2c(n1)c(F)cc(c2)c1cncc(c1)S(=O)(=O)NC(C)(C)C
• InChI: InChI=1S/C15H17FN6O2S/c1-15(2,3)21-25(23,24)11-4-9(6-18-7-11)10-5-12(16)13-19-14(17)20-22(13)8-10/h4-8,21H,1-3H3,(H2,17,20)
• InChIKey: RXRZPHQBTHQXSV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-N-tert-butylpyridine-3-sulfonamide
• IUPAC Traditional name: 5-{2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl}-N-tert-butylpyridine-3-sulfonamide
• Synonyms: CZC24832

Database IDs

• CAS Number: 1159824-67-5

CALCULATED PROPERTIES

• Acid pKa: 9.36248
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 1.4704851
• LogD (pH = 7.4): 1.4664183
• Log P: 1.4705886
• Molar Refractivity: 103.454 cm^3
• Polarizability: 35.948296 Å^3
• Polar Surface Area: 115.27 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Target: Akt; mTORPI3K PI3K; Product Categories PI3K

Product Information

• Salt Data: Free Base