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

• ChemBase ID: 762132
• Molecular Formular: C19H19N5O2S
• Molecular Mass: 381.45146
• Monoisotopic Mass: 381.12594587
• SMILES: c1(nn2c(c1)CN(C(=O)c1c(ccs1)C)CC2)C(=O)NCc1ncccc1
• Canonical SMILES: O=C(c1nn2c(c1)CN(CC2)C(=O)c1sccc1C)NCc1ccccn1
• InChI: InChI=1S/C19H19N5O2S/c1-13-5-9-27-17(13)19(26)23-7-8-24-15(12-23)10-16(22-24)18(25)21-11-14-4-2-3-6-20-14/h2-6,9-10H,7-8,11-12H2,1H3,(H,21,25)
• InChIKey: WMCCSPUKZDYTEX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.901216
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.62882
• LogD (pH = 7.4): 1.6465583
• Log P: 1.6467897
• Molar Refractivity: 113.822 cm^3
• Polarizability: 38.216503 Å^3
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.16
• LOG S: -1.67
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 4