5-{[4-(diethylamino)phenyl]methyl}-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 325631
• Molecular Formular: C23H32F3N5O
• Molecular Mass: 451.5282896
• Monoisotopic Mass: 451.25589533
• SMILES: c1(c2c(n(n1)CCC(F)(F)F)CCN(C2)Cc1ccc(N(CC)CC)cc1)C(=O)N(C)C
• Canonical SMILES: CCN(c1ccc(cc1)CN1CCc2c(C1)c(nn2CCC(F)(F)F)C(=O)N(C)C)CC
• InChI: InChI=1S/C23H32F3N5O/c1-5-30(6-2)18-9-7-17(8-10-18)15-29-13-11-20-19(16-29)21(22(32)28(3)4)27-31(20)14-12-23(24,25)26/h7-10H,5-6,11-16H2,1-4H3
• InChIKey: SBFNTAGGOVPDIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[4-(diethylamino)phenyl]methyl}-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-{[4-(diethylamino)phenyl]methyl}-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[4-(diethylamino)benzyl]-N,N-dimethyl-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): 1.3966234
• LogD (pH = 7.4): 3.0066369
• Log P: 3.225463
• Molar Refractivity: 133.7417 cm^3
• Polarizability: 44.478752 Å^3
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.58
• LOG S: -5.49
• Polar Surface Area: 44.61 Å^2
• Rotatable Bonds: 5