7-(9H-fluoren-2-ylmethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine

• ChemBase ID: 322052
• Molecular Formular: C20H19N3
• Molecular Mass: 301.38496
• Monoisotopic Mass: 301.15789762
• SMILES: c12n(cnc2)CCN(C1)Cc1cc2c(c3c(C2)cccc3)cc1
• Canonical SMILES: c1ccc2c(c1)c1ccc(cc1C2)CN1CCn2c(C1)cnc2
• InChI: InChI=1S/C20H19N3/c1-2-4-19-16(3-1)10-17-9-15(5-6-20(17)19)12-22-7-8-23-14-21-11-18(23)13-22/h1-6,9,11,14H,7-8,10,12-13H2
• InChIKey: SMWSNBLVHHZJRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(9H-fluoren-2-ylmethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine
• IUPAC Traditional name: 7-(9H-fluoren-2-ylmethyl)-5H,6H,8H-imidazo[1,5-a]pyrazine
• Synonyms: 7-(9H-fluoren-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.709284
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2617666
• LogD (pH = 7.4): 3.0200014
• Log P: 3.2585714
• Molar Refractivity: 93.7887 cm^3
• Polarizability: 36.888996 Å^3
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.78
• LOG S: -3.87
• Polar Surface Area: 21.06 Å^2
• Rotatable Bonds: 2