2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide

C23H18F4N4O3 — CID 50791483

IUPAC2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2cc(C(F)(F)F)c3c(C)nn(-c4cccc(F)c4)c3n2)c1
InChIInChI=1S/C23H18F4N4O3/c1-13-21-18(23(25,26)27)11-20(29-22(21)31(30-13)16-7-3-5-14(24)9-16)34-12-19(32)28-15-6-4-8-17(10-15)33-2/h3-11H,12H2,1-2H3,(H,28,32)
InChIKeyMTUQOAYXBBDVQI-UHFFFAOYSA-N
MW474.41 g/mol
LogP4.91
Rot. Bonds6

About 2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide

2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide (PubChem CID 50791483) has the molecular formula C23H18F4N4O3 and a molecular weight of 474.41 g/mol. Its IUPAC name is 2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide
PubChem CID50791483
Molecular FormulaC23H18F4N4O3
Molecular Weight474.41 g/mol
Exact Mass474.13
IUPAC Name2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)COc2cc(C(F)(F)F)c3c(C)nn(-c4cccc(F)c4)c3n2)c1
InChIInChI=1S/C23H18F4N4O3/c1-13-21-18(23(25,26)27)11-20(29-22(21)31(30-13)16-7-3-5-14(24)9-16)34-12-19(32)28-15-6-4-8-17(10-15)33-2/h3-11H,12H2,1-2H3,(H,28,32)
InChIKeyMTUQOAYXBBDVQI-UHFFFAOYSA-N
XLogP4.91
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.41
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-acetylphenyl)-2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791482
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 50791402
N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791122
N-(4-fluoro-2-methylphenyl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791258
N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791540
N-(1,3-benzodioxol-5-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791202
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(3-fluorophenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791230
2-[1-(3-fluorophenyl)-3-methyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-(4-methoxyphenyl)acetamide
CID 46339049
N-(2-chlorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791456
N-(4-acetamidophenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791465
2-(3-fluorophenoxy)-N-(3-methoxyphenyl)acetamide
CID 2709796
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methylphenyl)acetamide
CID 50791546

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide (CID 50791483) is 2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)COc2cc(C(F)(F)F)c3c(C)nn(-c4cccc(F)c4)c3n2)c1.
What is the InChIKey of 2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide?
The InChIKey is MTUQOAYXBBDVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O3/c1-13-21-18(23(25,26)27)11-20(29-22(21)31(30-13)16-7-3-5-14(24)9-16)34-12-19(32)28-15-6-4-8-17(10-15)33-2/h3-11H,12H2,1-2H3,(H,28,32).
What are the key properties of 2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide?
2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide has a molecular weight of 474.41 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 50791483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).