N-cyclopropyl-5-(4-methyl-1H-imidazole-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 864068
• Molecular Formular: C15H18N6O2
• Molecular Mass: 314.34242
• Monoisotopic Mass: 314.14912385
• SMILES: c1(nn2c(c1)CN(C(=O)c1nc(c[nH]1)C)CC2)C(=O)NC1CC1
• Canonical SMILES: Cc1c[nH]c(n1)C(=O)N1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C15H18N6O2/c1-9-7-16-13(17-9)15(23)20-4-5-21-11(8-20)6-12(19-21)14(22)18-10-2-3-10/h6-7,10H,2-5,8H2,1H3,(H,16,17)(H,18,22)
• InChIKey: WWTQPQCMVHXPDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-(4-methyl-1H-imidazole-2-carbonyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-(4-methyl-1H-imidazole-2-carbonyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[(4-methyl-1H-imidazol-2-yl)carbonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.2302885
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.5135595
• LogD (pH = 7.4): -0.51186043
• Log P: -0.51177615
• Molar Refractivity: 94.1921 cm^3
• Polarizability: 30.684315 Å^3
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.7
• LOG S: -2.2
• Polar Surface Area: 95.91 Å^2
• Rotatable Bonds: 3