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

• ChemBase ID: 402071
• Molecular Formular: C22H32N4O
• Molecular Mass: 368.51568
• Monoisotopic Mass: 368.25761166
• SMILES: c1(C(=O)N2CCN(C34CC5CC(C4)CC(C3)C5)CC2)c2n(nc1)CCCC2
• Canonical SMILES: O=C(c1cnn2c1CCCC2)N1CCN(CC1)C12CC3CC(C2)CC(C1)C3
• InChI: InChI=1S/C22H32N4O/c27-21(19-15-23-26-4-2-1-3-20(19)26)24-5-7-25(8-6-24)22-12-16-9-17(13-22)11-18(10-16)14-22/h15-18H,1-14H2
• InChIKey: OTTUECZZOQGFEJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(adamantan-1-yl)-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
• IUPAC Traditional name: 1-(adamantan-1-yl)-4-{4H,5H,6H,7H-pyrazolo[1,5-a]pyridine-3-carbonyl}piperazine
• Synonyms: 3-{[4-(1-adamantyl)-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): -0.67728704
• LogD (pH = 7.4): 1.0351255
• Log P: 2.3307438
• Molar Refractivity: 118.0432 cm^3
• Polarizability: 40.84684 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: 2.66
• LOG S: -4.16
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 2