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

• ChemBase ID: 696212
• Molecular Formular: C18H20N8O
• Molecular Mass: 364.4044
• Monoisotopic Mass: 364.1760073
• SMILES: c1(nn2c(c1)CN(c1nc(c(cn1)C)N)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)c1ncc(c(n1)N)C)NCc1ccccn1
• InChI: InChI=1S/C18H20N8O/c1-12-9-22-18(23-16(12)19)25-6-7-26-14(11-25)8-15(24-26)17(27)21-10-13-4-2-3-5-20-13/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,27)(H2,19,22,23)
• InChIKey: HQQYCCSARFYIDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901225
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -0.08405617
• LogD (pH = 7.4): 0.9585648
• Log P: 1.0647669
• Molar Refractivity: 114.1131 cm^3
• Polarizability: 37.112217 Å^3
• Polar Surface Area: 114.85 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: 0.19
• LOG S: -2.03
• Polar Surface Area: 114.85 Å^2
• Rotatable Bonds: 4