5-[(2R)-2-amino-2-phenylacetyl]-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 794035
• Molecular Formular: C21H22N6O2
• Molecular Mass: 390.43838
• Monoisotopic Mass: 390.18042397
• SMILES: c1(nn2c(c1)CN(C(=O)[C@@H](c1ccccc1)N)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: O=C([C@@H](c1ccccc1)N)N1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1
• InChI: InChI=1S/C21H22N6O2/c22-19(15-6-2-1-3-7-15)21(29)26-10-11-27-17(14-26)12-18(25-27)20(28)24-13-16-8-4-5-9-23-16/h1-9,12,19H,10-11,13-14,22H2,(H,24,28)/t19-/m1/s1
• InChIKey: HSUHBGGLOWUSBT-LJQANCHMSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2R)-2-amino-2-phenylacetyl]-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-[(2R)-2-amino-2-phenylacetyl]-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-[(2R)-2-amino-2-phenylacetyl]-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901248
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.8097311
• LogD (pH = 7.4): -0.118430056
• Log P: 0.37861198
• Molar Refractivity: 118.938 cm^3
• Polarizability: 41.322678 Å^3
• Polar Surface Area: 106.14 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.04
• LOG S: -1.64
• Polar Surface Area: 106.14 Å^2
• Rotatable Bonds: 5