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

• ChemBase ID: 765455
• Molecular Formular: C19H24N6
• Molecular Mass: 336.43406
• Monoisotopic Mass: 336.2062448
• SMILES: c12n(nc(c1)CNc1nc(C#N)ccc1)CCN(C2)C1CCCCC1
• Canonical SMILES: N#Cc1cccc(n1)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• InChI: InChI=1S/C19H24N6/c20-12-15-5-4-8-19(22-15)21-13-16-11-18-14-24(9-10-25(18)23-16)17-6-2-1-3-7-17/h4-5,8,11,17H,1-3,6-7,9-10,13-14H2,(H,21,22)
• InChIKey: AICUULRUZAJYTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.27223
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5935418
• LogD (pH = 7.4): 2.3029275
• Log P: 2.787704
• Molar Refractivity: 110.2172 cm^3
• Polarizability: 37.20672 Å^3
• Polar Surface Area: 69.77 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: 2.64
• LOG S: -3.17
• Polar Surface Area: 69.77 Å^2
• Rotatable Bonds: 4