N,1-dimethyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}-1H-pyrazolo[1,5-a]imidazole-7-carboxamide

• ChemBase ID: 817133
• Molecular Formular: C15H19N5OS
• Molecular Mass: 317.40926
• Monoisotopic Mass: 317.13103125
• SMILES: c1(c2n(nc1)ccn2C)C(=O)N(Cc1nc(sc1)C(C)C)C
• Canonical SMILES: CN(C(=O)c1cnn2c1n(C)cc2)Cc1csc(n1)C(C)C
• InChI: InChI=1S/C15H19N5OS/c1-10(2)13-17-11(9-22-13)8-19(4)15(21)12-7-16-20-6-5-18(3)14(12)20/h5-7,9-10H,8H2,1-4H3
• InChIKey: STPYQNWSKNNKHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1-dimethyl-N-{[2-(propan-2-yl)-1,3-thiazol-4-yl]methyl}-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
• IUPAC Traditional name: N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N,1-dimethylpyrazolo[1,5-a]imidazole-7-carboxamide
• Synonyms: N-[(2-isopropyl-1,3-thiazol-4-yl)methyl]-N,1-dimethyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2140644
• LogD (pH = 7.4): 2.2146513
• Log P: 2.2146587
• Molar Refractivity: 96.464 cm^3
• Polarizability: 32.12529 Å^3
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.51
• LOG S: -2.79
• Polar Surface Area: 55.43 Å^2
• Rotatable Bonds: 4