N,N-dimethyl-5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1-(3,3,3-trifluoropropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 636599
• Molecular Formular: C23H24F3N5O3
• Molecular Mass: 475.4635696
• Monoisotopic Mass: 475.18312431
• SMILES: c1(c2c(n(n1)CCC(F)(F)F)CCN(C(=O)c1c(noc1C)c1ccccc1)C2)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1nn(c2c1CN(CC2)C(=O)c1c(C)onc1c1ccccc1)CCC(F)(F)F)C
• InChI: InChI=1S/C23H24F3N5O3/c1-14-18(19(28-34-14)15-7-5-4-6-8-15)21(32)30-11-9-17-16(13-30)20(22(33)29(2)3)27-31(17)12-10-23(24,25)26/h4-8H,9-13H2,1-3H3
• InChIKey: GLDKTKUJYPEION-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1-(3,3,3-trifluoropropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: N,N-dimethyl-5-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)-1-(3,3,3-trifluoropropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: N,N-dimethyl-5-[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3041542
• LogD (pH = 7.4): 2.3041558
• Log P: 2.3041558
• Molar Refractivity: 131.5009 cm^3
• Polarizability: 44.335197 Å^3
• Polar Surface Area: 84.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.27
• LOG S: -5.8
• Polar Surface Area: 84.47 Å^2
• Rotatable Bonds: 5