4-{1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carbonyl}-3-propylmorpholine

• ChemBase ID: 485997
• Molecular Formular: C14H20N4O2
• Molecular Mass: 276.3342
• Monoisotopic Mass: 276.1586259
• SMILES: c1(c2n(nc1)ccn2C)C(=O)N1C(COCC1)CCC
• Canonical SMILES: CCCC1COCCN1C(=O)c1cnn2c1n(C)cc2
• InChI: InChI=1S/C14H20N4O2/c1-3-4-11-10-20-8-7-17(11)14(19)12-9-15-18-6-5-16(2)13(12)18/h5-6,9,11H,3-4,7-8,10H2,1-2H3
• InChIKey: MEDPRLRYDUZHDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carbonyl}-3-propylmorpholine
• IUPAC Traditional name: 4-{1-methylpyrazolo[1,5-a]imidazole-7-carbonyl}-3-propylmorpholine
• Synonyms: 1-methyl-7-[(3-propylmorpholin-4-yl)carbonyl]-1H-imidazo[1,2-b]pyrazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5484996
• LogD (pH = 7.4): 1.5484998
• Log P: 1.5484998
• Molar Refractivity: 86.1414 cm^3
• Polarizability: 28.475527 Å^3
• Polar Surface Area: 51.77 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.29
• LOG S: -2.31
• Polar Surface Area: 51.77 Å^2
• Rotatable Bonds: 3