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

• ChemBase ID: 406829
• Molecular Formular: C22H28N4O
• Molecular Mass: 364.48392
• Monoisotopic Mass: 364.22631154
• SMILES: c1(C(=O)N2CCN(C3Cc4c(CC3)cccc4)CC2)c2n(nc1)CCCC2
• Canonical SMILES: O=C(c1cnn2c1CCCC2)N1CCN(CC1)C1CCc2c(C1)cccc2
• InChI: InChI=1S/C22H28N4O/c27-22(20-16-23-26-10-4-3-7-21(20)26)25-13-11-24(12-14-25)19-9-8-17-5-1-2-6-18(17)15-19/h1-2,5-6,16,19H,3-4,7-15H2
• InChIKey: XFYHNEVUBYUUQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
• IUPAC Traditional name: 1-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}-4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazine
• Synonyms: 3-{[4-(1,2,3,4-tetrahydro-2-naphthalenyl)-1-piperazinyl]carbonyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.74623466
• LogD (pH = 7.4): 2.4072294
• Log P: 2.796696
• Molar Refractivity: 119.3748 cm^3
• Polarizability: 40.69236 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.35
• LOG S: -3.86
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 2