4-[1-(3-methylbutyl)-5-(5-phenyl-1,2-oxazole-3-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine

• ChemBase ID: 614259
• Molecular Formular: C26H31N5O4
• Molecular Mass: 477.55544
• Monoisotopic Mass: 477.2376045
• SMILES: c1(c2c(n(n1)CCC(C)C)CCN(C(=O)c1noc(c1)c1ccccc1)C2)C(=O)N1CCOCC1
• Canonical SMILES: CC(CCn1nc(c2c1CCN(C2)C(=O)c1noc(c1)c1ccccc1)C(=O)N1CCOCC1)C
• InChI: InChI=1S/C26H31N5O4/c1-18(2)8-11-31-22-9-10-30(17-20(22)24(27-31)26(33)29-12-14-34-15-13-29)25(32)21-16-23(35-28-21)19-6-4-3-5-7-19/h3-7,16,18H,8-15,17H2,1-2H3
• InChIKey: JCPSRIAAJILJPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(3-methylbutyl)-5-(5-phenyl-1,2-oxazole-3-carbonyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine
• IUPAC Traditional name: 4-[1-(3-methylbutyl)-5-(5-phenyl-1,2-oxazole-3-carbonyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]morpholine
• Synonyms: 1-(3-methylbutyl)-3-(4-morpholinylcarbonyl)-5-[(5-phenyl-3-isoxazolyl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.5486417
• LogD (pH = 7.4): 2.5486422
• Log P: 2.5486422
• Molar Refractivity: 143.8235 cm^3
• Polarizability: 50.617233 Å^3
• Polar Surface Area: 93.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.69
• LOG S: -5.32
• Polar Surface Area: 93.7 Å^2
• Rotatable Bonds: 5