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

• ChemBase ID: 583895
• Molecular Formular: C20H25F3N4O2
• Molecular Mass: 410.4333096
• Monoisotopic Mass: 410.19296072
• SMILES: c1(c2c(n(n1)CCC(F)(F)F)CCN(C2)Cc1ccc(cc1)OC)C(=O)N(C)C
• Canonical SMILES: COc1ccc(cc1)CN1CCc2c(C1)c(nn2CCC(F)(F)F)C(=O)N(C)C
• InChI: InChI=1S/C20H25F3N4O2/c1-25(2)19(28)18-16-13-26(12-14-4-6-15(29-3)7-5-14)10-8-17(16)27(24-18)11-9-20(21,22)23/h4-7H,8-13H2,1-3H3
• InChIKey: GIQBRLYVMURXRK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(4-methoxyphenyl)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-methoxyphenyl)methyl]-N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carboxamide
• Synonyms: 5-(4-methoxybenzyl)-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): 0.74299747
• LogD (pH = 7.4): 2.015463
• Log P: 2.1274066
• Molar Refractivity: 116.2791 cm^3
• Polarizability: 38.572365 Å^3
• Polar Surface Area: 50.6 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: 1.28
• LOG S: -3.86
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 5