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

• ChemBase ID: 406655
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: c12n(nc(c1)CNC(=O)c1oc(cc1)OC)CCN(C2)C1CCCCC1
• Canonical SMILES: COc1ccc(o1)C(=O)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• InChI: InChI=1S/C19H26N4O3/c1-25-18-8-7-17(26-18)19(24)20-12-14-11-16-13-22(9-10-23(16)21-14)15-5-3-2-4-6-15/h7-8,11,15H,2-6,9-10,12-13H2,1H3,(H,20,24)
• InChIKey: IAZQWZGVDDFICY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.819338
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.43135574
• LogD (pH = 7.4): 1.2776158
• Log P: 1.7623771
• Molar Refractivity: 108.5997 cm^3
• Polarizability: 37.38688 Å^3
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.57
• LOG S: -3.15
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 5