1-(3,5-dimethoxyphenyl)-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazole

• ChemBase ID: 329814
• Molecular Formular: C17H19N5O2
• Molecular Mass: 325.36506
• Monoisotopic Mass: 325.15387487
• SMILES: c1(c2n(c3cc(cc(c3)OC)OC)ccn2)nn2c(c1)CNCC2
• Canonical SMILES: COc1cc(OC)cc(c1)n1ccnc1c1cc2n(n1)CCNC2
• InChI: InChI=1S/C17H19N5O2/c1-23-14-7-12(8-15(10-14)24-2)21-5-4-19-17(21)16-9-13-11-18-3-6-22(13)20-16/h4-5,7-10,18H,3,6,11H2,1-2H3
• InChIKey: TUXWEKALEQABIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-dimethoxyphenyl)-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazole
• IUPAC Traditional name: 1-(3,5-dimethoxyphenyl)-2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazole
• Synonyms: 2-[1-(3,5-dimethoxyphenyl)-1H-imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.7659421
• LogD (pH = 7.4): 0.9994536
• Log P: 1.5663735
• Molar Refractivity: 121.7223 cm^3
• Polarizability: 35.774418 Å^3
• Polar Surface Area: 66.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.03
• LOG S: -1.44
• Polar Surface Area: 66.13 Å^2
• Rotatable Bonds: 4