N-cyclopropyl-5-{[(4-fluorophenyl)carbamoyl]carbonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 709207
• Molecular Formular: C18H18FN5O3
• Molecular Mass: 371.3656232
• Monoisotopic Mass: 371.13936768
• SMILES: c1(nn2c(c1)CN(C(=O)C(=O)Nc1ccc(F)cc1)CC2)C(=O)NC1CC1
• Canonical SMILES: Fc1ccc(cc1)NC(=O)C(=O)N1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C18H18FN5O3/c19-11-1-3-12(4-2-11)21-17(26)18(27)23-7-8-24-14(10-23)9-15(22-24)16(25)20-13-5-6-13/h1-4,9,13H,5-8,10H2,(H,20,25)(H,21,26)
• InChIKey: ZVVQJMNPSHJLFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-5-{[(4-fluorophenyl)carbamoyl]carbonyl}-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-5-{[(4-fluorophenyl)carbamoyl]carbonyl}-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: N-cyclopropyl-5-[[(4-fluorophenyl)amino](oxo)acetyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.416316
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.7802009
• LogD (pH = 7.4): 0.78016263
• Log P: 0.7802024
• Molar Refractivity: 106.7867 cm^3
• Polarizability: 35.06532 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 0.71
• LOG S: -2.52
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 4