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

• ChemBase ID: 519443
• Molecular Formular: C20H19N5O3
• Molecular Mass: 377.39656
• Monoisotopic Mass: 377.14878949
• SMILES: c1(nn2c(c1)CN(C(=O)c1c(O)cccc1)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)C(=O)c1ccccc1O)NCc1ccccn1
• InChI: InChI=1S/C20H19N5O3/c26-18-7-2-1-6-16(18)20(28)24-9-10-25-15(13-24)11-17(23-25)19(27)22-12-14-5-3-4-8-21-14/h1-8,11,26H,9-10,12-13H2,(H,22,27)
• InChIKey: RYHJIDFVWLVVQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.170248
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5480314
• LogD (pH = 7.4): 1.4991292
• Log P: 1.5669216
• Molar Refractivity: 113.8718 cm^3
• Polarizability: 38.377216 Å^3
• Polar Surface Area: 100.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.76
• LOG S: -0.72
• Polar Surface Area: 100.35 Å^2
• Rotatable Bonds: 4