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

• ChemBase ID: 510910
• Molecular Formular: C18H21N7O
• Molecular Mass: 351.40564
• Monoisotopic Mass: 351.18075833
• SMILES: c1(nn2c(c1)CN(Cc1c(nc[nH]1)C)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)Cc1[nH]cnc1C)NCc1ccccn1
• InChI: InChI=1S/C18H21N7O/c1-13-17(22-12-21-13)11-24-6-7-25-15(10-24)8-16(23-25)18(26)20-9-14-4-2-3-5-19-14/h2-5,8,12H,6-7,9-11H2,1H3,(H,20,26)(H,21,22)
• InChIKey: BOHYZSVXAIKADJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.671301
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -1.010974
• LogD (pH = 7.4): -0.24992509
• Log P: -0.20320752
• Molar Refractivity: 108.9856 cm^3
• Polarizability: 36.782764 Å^3
• Polar Surface Area: 91.73 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: -1.68
• LOG S: -0.34
• Polar Surface Area: 91.73 Å^2
• Rotatable Bonds: 5