5-(2-methoxy-2-phenylacetyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide

• ChemBase ID: 334201
• Molecular Formular: C21H25F3N4O3
• Molecular Mass: 438.4434096
• Monoisotopic Mass: 438.18787534
• SMILES: c1(c2c(n(n1)CCC(F)(F)F)CCN(C(=O)C(c1ccccc1)OC)C2)C(=O)N(C)C
• Canonical SMILES: COC(C(=O)N1CCc2c(C1)c(nn2CCC(F)(F)F)C(=O)N(C)C)c1ccccc1
• InChI: InChI=1S/C21H25F3N4O3/c1-26(2)19(29)17-15-13-27(20(30)18(31-3)14-7-5-4-6-8-14)11-9-16(15)28(25-17)12-10-21(22,23)24/h4-8,18H,9-13H2,1-3H3
• InChIKey: GEIVOILRFHOOQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methoxy-2-phenylacetyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-(2-methoxy-2-phenylacetyl)-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-[methoxy(phenyl)acetyl]-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): 1.5817089
• LogD (pH = 7.4): 1.5817095
• Log P: 1.5817095
• Molar Refractivity: 120.2858 cm^3
• Polarizability: 40.266926 Å^3
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.49
• LOG S: -4.17
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 5