5-(3-methoxy-2,2-dimethylpropanoyl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 817610
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: c1(nn2c(c1)CN(C(=O)C(COC)(C)C)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: COCC(C(=O)N1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1)(C)C
• InChI: InChI=1S/C19H25N5O3/c1-19(2,13-27-3)18(26)23-8-9-24-15(12-23)10-16(22-24)17(25)21-11-14-6-4-5-7-20-14/h4-7,10H,8-9,11-13H2,1-3H3,(H,21,25)
• InChIKey: PXYKYSOVFPSFTC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(3-methoxy-2,2-dimethylpropanoyl)-N-(pyridin-2-ylmethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• IUPAC Traditional name: 5-(3-methoxy-2,2-dimethylpropanoyl)-N-(pyridin-2-ylmethyl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide
• Synonyms: 5-(3-methoxy-2,2-dimethylpropanoyl)-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.90125
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.5102345
• LogD (pH = 7.4): 0.5279728
• Log P: 0.5282042
• Molar Refractivity: 111.4487 cm^3
• Polarizability: 38.29792 Å^3
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.99
• LOG S: -1.07
• Polar Surface Area: 89.35 Å^2
• Rotatable Bonds: 6