2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole

• ChemBase ID: 497590
• Molecular Formular: C19H21N5
• Molecular Mass: 319.40354
• Monoisotopic Mass: 319.1796957
• SMILES: c1(c2n(c3c4c(ccc3)CCCC4)ccn2)nn2c(c1)CNCC2
• Canonical SMILES: C1CCc2c(C1)c(ccc2)n1ccnc1c1nn2c(c1)CNCC2
• InChI: InChI=1S/C19H21N5/c1-2-6-16-14(4-1)5-3-7-18(16)23-10-9-21-19(23)17-12-15-13-20-8-11-24(15)22-17/h3,5,7,9-10,12,20H,1-2,4,6,8,11,13H2
• InChIKey: OMMHRFWFGNJUQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1-(5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole
• IUPAC Traditional name: 2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1-(5,6,7,8-tetrahydronaphthalen-1-yl)imidazole
• Synonyms: 2-[1-(5,6,7,8-tetrahydro-1-naphthalenyl)-1H-imidazol-2-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0017415
• LogD (pH = 7.4): 2.7670524
• Log P: 3.33397
• Molar Refractivity: 126.2781 cm^3
• Polarizability: 37.248116 Å^3
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.0
• LOG S: -3.08
• Polar Surface Area: 47.67 Å^2
• Rotatable Bonds: 2