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

• ChemBase ID: 527351
• Molecular Formular: C16H22N6O
• Molecular Mass: 314.38548
• Monoisotopic Mass: 314.18550935
• SMILES: n12nc(cc1CNCC2)CCC(=O)NC(Cc1nccnc1)C
• Canonical SMILES: CC(Cc1cnccn1)NC(=O)CCc1nn2c(c1)CNCC2
• InChI: InChI=1S/C16H22N6O/c1-12(8-14-10-17-4-5-19-14)20-16(23)3-2-13-9-15-11-18-6-7-22(15)21-13/h4-5,9-10,12,18H,2-3,6-8,11H2,1H3,(H,20,23)
• InChIKey: FVBXKHPDWSQGGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(pyrazin-2-yl)propan-2-yl]-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• IUPAC Traditional name: N-[1-(pyrazin-2-yl)propan-2-yl]-3-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}propanamide
• Synonyms: N-[1-methyl-2-(2-pyrazinyl)ethyl]-3-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.0272255
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -3.0072525
• LogD (pH = 7.4): -1.333428
• Log P: -0.8949148
• Molar Refractivity: 97.2164 cm^3
• Polarizability: 33.442112 Å^3
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: -1.81
• LOG S: -1.26
• Polar Surface Area: 84.73 Å^2
• Rotatable Bonds: 6