1-methyl-N-{[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}-1H-pyrazolo[1,5-a]imidazole-7-carboxamide

• ChemBase ID: 449076
• Molecular Formular: C15H19N5O2
• Molecular Mass: 301.34366
• Monoisotopic Mass: 301.15387487
• SMILES: c1(c2n(nc1)ccn2C)C(=O)NCc1noc(c1)CC(C)C
• Canonical SMILES: CC(Cc1onc(c1)CNC(=O)c1cnn2c1n(C)cc2)C
• InChI: InChI=1S/C15H19N5O2/c1-10(2)6-12-7-11(18-22-12)8-16-14(21)13-9-17-20-5-4-19(3)15(13)20/h4-5,7,9-10H,6,8H2,1-3H3,(H,16,21)
• InChIKey: UDZLFKPDOBSNFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-{[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
• IUPAC Traditional name: 1-methyl-N-{[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}pyrazolo[1,5-a]imidazole-7-carboxamide
• Synonyms: N-[(5-isobutylisoxazol-3-yl)methyl]-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.97989
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7838187
• LogD (pH = 7.4): 1.783819
• Log P: 1.7838199
• Molar Refractivity: 92.9821 cm^3
• Polarizability: 30.34519 Å^3
• Polar Surface Area: 77.36 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: 1.54
• LOG S: -2.71
• Polar Surface Area: 77.36 Å^2
• Rotatable Bonds: 5