5-(6-aminopyridine-3-carbonyl)-N-cyclopropyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 334776
• Molecular Formular: C16H18N6O2
• Molecular Mass: 326.35312
• Monoisotopic Mass: 326.14912385
• SMILES: c1(nn2c(c1)CN(C(=O)c1cnc(cc1)N)CC2)C(=O)NC1CC1
• Canonical SMILES: Nc1ccc(cn1)C(=O)N1CCn2c(C1)cc(n2)C(=O)NC1CC1
• InChI: InChI=1S/C16H18N6O2/c17-14-4-1-10(8-18-14)16(24)21-5-6-22-12(9-21)7-13(20-22)15(23)19-11-2-3-11/h1,4,7-8,11H,2-3,5-6,9H2,(H2,17,18)(H,19,23)
• InChIKey: ZBTXCQDLQKIXDH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(6-aminopyridine-3-carbonyl)-N-cyclopropyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(6-aminopyridine-3-carbonyl)-N-cyclopropyl-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(6-aminopyridin-3-yl)carbonyl]-N-cyclopropyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.166532
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.5383173
• LogD (pH = 7.4): -0.35728684
• Log P: -0.35436204
• Molar Refractivity: 100.0256 cm^3
• Polarizability: 32.311604 Å^3
• Polar Surface Area: 106.14 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: -0.59
• LOG S: -2.39
• Polar Surface Area: 106.14 Å^2
• Rotatable Bonds: 3