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

• ChemBase ID: 436006
• Molecular Formular: C20H31N5O2
• Molecular Mass: 373.49244
• Monoisotopic Mass: 373.24777526
• SMILES: c12n(nc(c1)CNC(=O)C(N1C(=O)CCC1)C)CCN(C2)C1CCCCC1
• Canonical SMILES: O=C(C(N1CCCC1=O)C)NCc1nn2c(c1)CN(CC2)C1CCCCC1
• InChI: InChI=1S/C20H31N5O2/c1-15(24-9-5-8-19(24)26)20(27)21-13-16-12-18-14-23(10-11-25(18)22-16)17-6-3-2-4-7-17/h12,15,17H,2-11,13-14H2,1H3,(H,21,27)
• InChIKey: VNEXGGVWPVYMAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.582735
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.3632395
• LogD (pH = 7.4): 0.34573266
• Log P: 0.8304963
• Molar Refractivity: 114.9112 cm^3
• Polarizability: 40.128784 Å^3
• Polar Surface Area: 70.47 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: 0.29
• LOG S: -3.48
• Polar Surface Area: 70.47 Å^2
• Rotatable Bonds: 5