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

• ChemBase ID: 508133
• Molecular Formular: C20H25N5O2
• Molecular Mass: 367.4448
• Monoisotopic Mass: 367.20082507
• SMILES: c12n(nc(c1)CCC(=O)NC1CCCC1)CCN(C(=O)c1ncccc1)C2
• Canonical SMILES: O=C(NC1CCCC1)CCc1cc2n(n1)CCN(C2)C(=O)c1ccccn1
• InChI: InChI=1S/C20H25N5O2/c26-19(22-15-5-1-2-6-15)9-8-16-13-17-14-24(11-12-25(17)23-16)20(27)18-7-3-4-10-21-18/h3-4,7,10,13,15H,1-2,5-6,8-9,11-12,14H2,(H,22,26)
• InChIKey: SPRURYWHFNYGGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.24033
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.0678307
• LogD (pH = 7.4): 1.0678929
• Log P: 1.0678937
• Molar Refractivity: 112.4423 cm^3
• Polarizability: 38.693233 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.56
• LOG S: -2.71
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 5