4-[5-(1-phenoxypropan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]morpholine

• ChemBase ID: 512519
• Molecular Formular: C20H26N4O3
• Molecular Mass: 370.44544
• Monoisotopic Mass: 370.20049071
• SMILES: c1(nn2c(c1)CN(CC2)C(COc1ccccc1)C)C(=O)N1CCOCC1
• Canonical SMILES: CC(N1CCn2c(C1)cc(n2)C(=O)N1CCOCC1)COc1ccccc1
• InChI: InChI=1S/C20H26N4O3/c1-16(15-27-18-5-3-2-4-6-18)23-7-8-24-17(14-23)13-19(21-24)20(25)22-9-11-26-12-10-22/h2-6,13,16H,7-12,14-15H2,1H3
• InChIKey: ZCSMDTKPRFLDAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[5-(1-phenoxypropan-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]morpholine
• IUPAC Traditional name: 4-[5-(1-phenoxypropan-2-yl)-4H,6H,7H-pyrazolo[1,5-a]pyrazine-2-carbonyl]morpholine
• Synonyms: 5-(1-methyl-2-phenoxyethyl)-2-(morpholin-4-ylcarbonyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.94301045
• LogD (pH = 7.4): 1.5970466
• Log P: 1.6169457
• Molar Refractivity: 113.9579 cm^3
• Polarizability: 39.357872 Å^3
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.56
• LOG S: -3.23
• Polar Surface Area: 59.83 Å^2
• Rotatable Bonds: 5