N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide

• ChemBase ID: 822712
• Molecular Formular: C18H22N4O3
• Molecular Mass: 342.39228
• Monoisotopic Mass: 342.16919058
• SMILES: c1(c2n(nc1)ccn2C)C(=O)N(Cc1cc(OC)ccc1)CCOC
• Canonical SMILES: COCCN(C(=O)c1cnn2c1n(C)cc2)Cc1cccc(c1)OC
• InChI: InChI=1S/C18H22N4O3/c1-20-7-8-22-17(20)16(12-19-22)18(23)21(9-10-24-2)13-14-5-4-6-15(11-14)25-3/h4-8,11-12H,9-10,13H2,1-3H3
• InChIKey: ZLJNFVPRPUOVON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-1-methyl-1H-pyrazolo[1,5-a]imidazole-7-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-1-methylpyrazolo[1,5-a]imidazole-7-carboxamide
• Synonyms: N-(3-methoxybenzyl)-N-(2-methoxyethyl)-1-methyl-1H-imidazo[1,2-b]pyrazole-7-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9031603
• LogD (pH = 7.4): 1.9031605
• Log P: 1.9031605
• Molar Refractivity: 105.6424 cm^3
• Polarizability: 35.77408 Å^3
• Polar Surface Area: 61.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.7
• LOG S: -2.29
• Polar Surface Area: 61.0 Å^2
• Rotatable Bonds: 7