N-cyclopentyl-3-[5-(4-methylpentanoyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide

• ChemBase ID: 671806
• Molecular Formular: C20H32N4O2
• Molecular Mass: 360.49368
• Monoisotopic Mass: 360.25252628
• SMILES: c12n(nc(c1)CCC(=O)NC1CCCC1)CCN(C2)C(=O)CCC(C)C
• Canonical SMILES: CC(CCC(=O)N1CCn2c(C1)cc(n2)CCC(=O)NC1CCCC1)C
• InChI: InChI=1S/C20H32N4O2/c1-15(2)7-10-20(26)23-11-12-24-18(14-23)13-17(22-24)8-9-19(25)21-16-5-3-4-6-16/h13,15-16H,3-12,14H2,1-2H3,(H,21,25)
• InChIKey: IARDRXCQAJTZAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-[5-(4-methylpentanoyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• IUPAC Traditional name: N-cyclopentyl-3-[5-(4-methylpentanoyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl]propanamide
• Synonyms: N-cyclopentyl-3-[5-(4-methylpentanoyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.322045
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9221855
• LogD (pH = 7.4): 1.9222331
• Log P: 1.9222337
• Molar Refractivity: 112.6782 cm^3
• Polarizability: 39.40339 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.56
• LOG S: -3.16
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 7