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

• ChemBase ID: 666700
• Molecular Formular: C19H23N7O
• Molecular Mass: 365.43222
• Monoisotopic Mass: 365.19640839
• SMILES: c1(nn2c(c1)CN(Cc1n(ccn1)CC)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: CCn1ccnc1CN1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1
• InChI: InChI=1S/C19H23N7O/c1-2-25-8-7-21-18(25)14-24-9-10-26-16(13-24)11-17(23-26)19(27)22-12-15-5-3-4-6-20-15/h3-8,11H,2,9-10,12-14H2,1H3,(H,22,27)
• InChIKey: SOALTGMPAFAQJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.902646
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.16403313
• LogD (pH = 7.4): 0.3815146
• Log P: 0.39907166
• Molar Refractivity: 113.4889 cm^3
• Polarizability: 38.615604 Å^3
• Polar Surface Area: 80.87 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: -0.63
• LOG S: -1.34
• Polar Surface Area: 80.87 Å^2
• Rotatable Bonds: 6