4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperidine

• ChemBase ID: 330313
• Molecular Formular: C16H24N6O
• Molecular Mass: 316.40136
• Monoisotopic Mass: 316.20115942
• SMILES: n1n2c(cc1CN1CCC(Cc3nc(on3)C)CC1)CNCC2
• Canonical SMILES: Cc1onc(n1)CC1CCN(CC1)Cc1nn2c(c1)CNCC2
• InChI: InChI=1S/C16H24N6O/c1-12-18-16(20-23-12)8-13-2-5-21(6-3-13)11-14-9-15-10-17-4-7-22(15)19-14/h9,13,17H,2-8,10-11H2,1H3
• InChIKey: JCFPHBOFHVVEHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperidine
• IUPAC Traditional name: 4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-ylmethyl}piperidine
• Synonyms: 2-({4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-piperidinyl}methyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.1793532
• LogD (pH = 7.4): -0.04746297
• Log P: 0.5831387
• Molar Refractivity: 100.1909 cm^3
• Polarizability: 33.465576 Å^3
• Polar Surface Area: 72.01 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.84
• LOG S: -1.09
• Polar Surface Area: 72.01 Å^2
• Rotatable Bonds: 4