1-{5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}-4-(3-methylpyridin-4-yl)piperazine

• ChemBase ID: 332505
• Molecular Formular: C18H24N6O
• Molecular Mass: 340.42276
• Monoisotopic Mass: 340.20115942
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)N1CCN(c2c(cncc2)C)CC1
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)N1CCN(CC1)c1ccncc1C
• InChI: InChI=1S/C18H24N6O/c1-14-12-19-4-3-17(14)22-6-8-23(9-7-22)18(25)16-11-15-13-21(2)5-10-24(15)20-16/h3-4,11-12H,5-10,13H2,1-2H3
• InChIKey: OGGXTUUSYKHEFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{5-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}-4-(3-methylpyridin-4-yl)piperazine
• IUPAC Traditional name: 1-{5-methyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl}-4-(3-methylpyridin-4-yl)piperazine
• Synonyms: 5-methyl-2-{[4-(3-methylpyridin-4-yl)piperazin-1-yl]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.66335505
• LogD (pH = 7.4): -0.12522604
• Log P: 0.8088103
• Molar Refractivity: 109.3453 cm^3
• Polarizability: 36.30326 Å^3
• Polar Surface Area: 57.5 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.04
• LOG S: -2.96
• Polar Surface Area: 57.5 Å^2
• Rotatable Bonds: 2