N-({5-cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)pyrazolo[1,5-a]pyridine-3-carboxamide

• ChemBase ID: 463838
• Molecular Formular: C21H26N6O
• Molecular Mass: 378.47074
• Monoisotopic Mass: 378.21680948
• SMILES: c1(c2n(nc1)cccc2)C(=O)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• Canonical SMILES: O=C(c1cnn2c1cccc2)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• InChI: InChI=1S/C21H26N6O/c28-21(19-14-23-27-9-5-4-8-20(19)27)22-13-16-12-18-15-25(10-11-26(18)24-16)17-6-2-1-3-7-17/h4-5,8-9,12,14,17H,1-3,6-7,10-11,13,15H2,(H,22,28)
• InChIKey: AEMUJCRIUBZMAH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({5-cyclohexyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• IUPAC Traditional name: N-({5-cyclohexyl-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}methyl)pyrazolo[1,5-a]pyridine-3-carboxamide
• Synonyms: N-[(5-cyclohexyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.414879
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.106704086
• LogD (pH = 7.4): 1.815686
• Log P: 2.300448
• Molar Refractivity: 130.4122 cm^3
• Polarizability: 41.58941 Å^3
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.99
• LOG S: -3.66
• Polar Surface Area: 67.46 Å^2
• Rotatable Bonds: 4