7-ethyl-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazin-8-one

• ChemBase ID: 729052
• Molecular Formular: C18H24N6O2
• Molecular Mass: 356.42216
• Monoisotopic Mass: 356.19607404
• SMILES: c1(c2n(c(n1)C)CCN(C2=O)CC)C(=O)N1CC(c2[nH]ncc2)CCC1
• Canonical SMILES: CCN1CCn2c(C1=O)c(nc2C)C(=O)N1CCCC(C1)c1ccn[nH]1
• InChI: InChI=1S/C18H24N6O2/c1-3-22-9-10-24-12(2)20-15(16(24)18(22)26)17(25)23-8-4-5-13(11-23)14-6-7-19-21-14/h6-7,13H,3-5,8-11H2,1-2H3,(H,19,21)
• InChIKey: HSOKTLJAYOJFFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-ethyl-3-methyl-1-[3-(1H-pyrazol-5-yl)piperidine-1-carbonyl]-5H,6H,7H,8H-imidazo[1,5-a]pyrazin-8-one
• IUPAC Traditional name: 7-ethyl-3-methyl-1-[3-(2H-pyrazol-3-yl)piperidine-1-carbonyl]-5H,6H-imidazo[1,5-a]pyrazin-8-one
• Synonyms: 7-ethyl-3-methyl-1-{[3-(1H-pyrazol-5-yl)piperidin-1-yl]carbonyl}-6,7-dihydroimidazo[1,5-a]pyrazin-8(5H)-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.548873
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.2530172
• LogD (pH = 7.4): -0.25239503
• Log P: -0.25238678
• Molar Refractivity: 98.7076 cm^3
• Polarizability: 36.167435 Å^3
• Polar Surface Area: 87.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.23
• LOG S: -2.06
• Polar Surface Area: 87.12 Å^2
• Rotatable Bonds: 3