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

• ChemBase ID: 819688
• Molecular Formular: C15H23N5O
• Molecular Mass: 289.37602
• Monoisotopic Mass: 289.19026038
• SMILES: c1(nn2c(c1)CNCC2)c1n(ccn1)CCCOC(C)C
• Canonical SMILES: CC(OCCCn1ccnc1c1nn2c(c1)CNCC2)C
• InChI: InChI=1S/C15H23N5O/c1-12(2)21-9-3-6-19-7-5-17-15(19)14-10-13-11-16-4-8-20(13)18-14/h5,7,10,12,16H,3-4,6,8-9,11H2,1-2H3
• InChIKey: TVLGJUQUKHWTNE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3718054
• LogD (pH = 7.4): 0.44182366
• Log P: 1.0101247
• Molar Refractivity: 103.7753 cm^3
• Polarizability: 32.12577 Å^3
• Polar Surface Area: 56.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.5
• LOG S: -1.19
• Polar Surface Area: 56.9 Å^2
• Rotatable Bonds: 6