N-[1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-yl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

• ChemBase ID: 568450
• Molecular Formular: C19H26N6O
• Molecular Mass: 354.44934
• Monoisotopic Mass: 354.21680948
• SMILES: c12n(nc(c1C(=O)NC(Cn1cncc1)C(C)(C)C)C)c(cc(n2)C)C
• Canonical SMILES: Cc1cc(C)n2c(n1)c(C(=O)NC(C(C)(C)C)Cn1ccnc1)c(n2)C
• InChI: InChI=1S/C19H26N6O/c1-12-9-13(2)25-17(21-12)16(14(3)23-25)18(26)22-15(19(4,5)6)10-24-8-7-20-11-24/h7-9,11,15H,10H2,1-6H3,(H,22,26)
• InChIKey: URAJHUHKWJMHRS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(1H-imidazol-1-yl)-3,3-dimethylbutan-2-yl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• IUPAC Traditional name: N-[1-(imidazol-1-yl)-3,3-dimethylbutan-2-yl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
• Synonyms: N-[1-(1H-imidazol-1-ylmethyl)-2,2-dimethylpropyl]-2,5,7-trimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.978556
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.2470891
• LogD (pH = 7.4): 1.7115111
• Log P: 1.7785887
• Molar Refractivity: 111.8344 cm^3
• Polarizability: 37.984287 Å^3
• Polar Surface Area: 77.11 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: 2.94
• LOG S: -4.29
• Polar Surface Area: 77.11 Å^2
• Rotatable Bonds: 5