5-methyl-N-[2-(morpholin-4-yl)-2-(pyridin-3-yl)ethyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carboxamide

• ChemBase ID: 318455
• Molecular Formular: C19H26N6O2
• Molecular Mass: 370.44874
• Monoisotopic Mass: 370.2117241
• SMILES: c1(nn2c(c1)CN(CC2)C)C(=O)NCC(N1CCOCC1)c1cnccc1
• Canonical SMILES: CN1CCn2c(C1)cc(n2)C(=O)NCC(c1cccnc1)N1CCOCC1
• InChI: InChI=1S/C19H26N6O2/c1-23-5-6-25-16(14-23)11-17(22-25)19(26)21-13-18(15-3-2-4-20-12-15)24-7-9-27-10-8-24/h2-4,11-12,18H,5-10,13-14H2,1H3,(H,21,26)
• InChIKey: MDVUEXUCHPTKFY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.037244
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.78460914
• LogD (pH = 7.4): -0.09683884
• Log P: -0.082142666
• Molar Refractivity: 114.2352 cm^3
• Polarizability: 39.305874 Å^3
• Polar Surface Area: 75.52 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: -0.28
• LOG S: -1.68
• Polar Surface Area: 75.52 Å^2
• Rotatable Bonds: 5