N-[(5-methylpyrazin-2-yl)methyl]-5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 607182
• Molecular Formular: C16H22N6O
• Molecular Mass: 314.38548
• Monoisotopic Mass: 314.18550935
• SMILES: c1(nn2c(c1)CN(CC2)C(C)C)C(=O)NCc1ncc(nc1)C
• Canonical SMILES: CC(N1CCn2c(C1)cc(n2)C(=O)NCc1cnc(cn1)C)C
• InChI: InChI=1S/C16H22N6O/c1-11(2)21-4-5-22-14(10-21)6-15(20-22)16(23)19-9-13-8-17-12(3)7-18-13/h6-8,11H,4-5,9-10H2,1-3H3,(H,19,23)
• InChIKey: YFASJMUASQYOAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylpyrazin-2-yl)methyl]-5-(propan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-isopropyl-N-[(5-methylpyrazin-2-yl)methyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-isopropyl-N-[(5-methylpyrazin-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Lipinski's Rule of Five: true
• Acid pKa: 13.863355
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.0722772
• LogD (pH = 7.4): -0.20985648
• Log P: -0.1735012
• Molar Refractivity: 98.5512 cm^3
• Polarizability: 33.16414 Å^3
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 4

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.23
• LOG S: -3.0
• Polar Surface Area: 75.94 Å^2
• Rotatable Bonds: 4