N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3,6-tetramethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

• ChemBase ID: 571320
• Molecular Formular: C18H23N5OS
• Molecular Mass: 357.47312
• Monoisotopic Mass: 357.16233138
• SMILES: c12c(c(C(=O)N(C(c3nc(sc3C)C)C)C)cc(n2)C)c(nn1C)C
• Canonical SMILES: Cc1nc(c(s1)C)C(N(C(=O)c1cc(C)nc2c1c(C)nn2C)C)C
• InChI: InChI=1S/C18H23N5OS/c1-9-8-14(15-10(2)21-23(7)17(15)19-9)18(24)22(6)11(3)16-12(4)25-13(5)20-16/h8,11H,1-7H3
• InChIKey: RXUPFPSREQBFBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3,6-tetramethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
• IUPAC Traditional name: N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3,6-tetramethylpyrazolo[3,4-b]pyridine-4-carboxamide
• Synonyms: N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N,1,3,6-tetramethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.929523
• LogD (pH = 7.4): 1.9328907
• Log P: 1.9329337
• Molar Refractivity: 110.4293 cm^3
• Polarizability: 37.635063 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.4
• LOG S: -3.0
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 3