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

• ChemBase ID: 663212
• Molecular Formular: C19H21N7O
• Molecular Mass: 363.41634
• Monoisotopic Mass: 363.18075833
• SMILES: c1(nn2c(c1)CN(Cc1cnc(nc1)C)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: Cc1ncc(cn1)CN1CCn2c(C1)cc(n2)C(=O)NCc1ccccn1
• InChI: InChI=1S/C19H21N7O/c1-14-21-9-15(10-22-14)12-25-6-7-26-17(13-25)8-18(24-26)19(27)23-11-16-4-2-3-5-20-16/h2-5,8-10H,6-7,11-13H2,1H3,(H,23,27)
• InChIKey: UDNWHXHEAQRANK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.902651
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.2103668
• LogD (pH = 7.4): 0.30758554
• Log P: 0.30893016
• Molar Refractivity: 112.8505 cm^3
• Polarizability: 38.174118 Å^3
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -2.02
• LOG S: -0.14
• Polar Surface Area: 88.83 Å^2
• Rotatable Bonds: 5