N-{dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}-1,5-dimethyl-3-(pyrrolidin-1-yl)-1H-pyrazol-4-amine

• ChemBase ID: 461154
• Molecular Formular: C15H21N7S
• Molecular Mass: 331.43914
• Monoisotopic Mass: 331.15791471
• SMILES: c12c(c(nn2C)C)sc(n1)Nc1c(nn(c1C)C)N1CCCC1
• Canonical SMILES: Cn1nc(c(c1C)Nc1sc2c(n1)n(nc2C)C)N1CCCC1
• InChI: InChI=1S/C15H21N7S/c1-9-12-14(21(4)18-9)17-15(23-12)16-11-10(2)20(3)19-13(11)22-7-5-6-8-22/h5-8H2,1-4H3,(H,16,17)
• InChIKey: AJKWTMIXXDKUGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-yl}-1,5-dimethyl-3-(pyrrolidin-1-yl)-1H-pyrazol-4-amine
• IUPAC Traditional name: N-{dimethylpyrazolo[3,4-d][1,3]thiazol-5-yl}-1,5-dimethyl-3-(pyrrolidin-1-yl)pyrazol-4-amine
• Synonyms: N-(1,5-dimethyl-3-pyrrolidin-1-yl-1H-pyrazol-4-yl)-1,3-dimethyl-1H-pyrazolo[3,4-d][1,3]thiazol-5-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.931997
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.5397475
• LogD (pH = 7.4): 2.5313015
• Log P: 2.5436108
• Molar Refractivity: 115.1214 cm^3
• Polarizability: 34.147087 Å^3
• Polar Surface Area: 63.8 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.25
• LOG S: -3.54
• Polar Surface Area: 63.8 Å^2
• Rotatable Bonds: 3