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

C23H18F4N4O2 — CID 50791122

IUPACN-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(OCC(=O)Nc4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C23H18F4N4O2/c1-13-3-9-17(10-4-13)31-22-21(14(2)30-31)18(23(25,26)27)11-20(29-22)33-12-19(32)28-16-7-5-15(24)6-8-16/h3-11H,12H2,1-2H3,(H,28,32)
InChIKeyWNLFXCNEXVNULJ-UHFFFAOYSA-N
MW458.42 g/mol
LogP5.21
Rot. Bonds5

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

N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (PubChem CID 50791122) has the molecular formula C23H18F4N4O2 and a molecular weight of 458.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
PubChem CID50791122
Molecular FormulaC23H18F4N4O2
Molecular Weight458.42 g/mol
Exact Mass458.14
IUPAC NameN-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
SMILESCc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(OCC(=O)Nc4ccc(F)cc4)nc32)cc1
InChIInChI=1S/C23H18F4N4O2/c1-13-3-9-17(10-4-13)31-22-21(14(2)30-31)18(23(25,26)27)11-20(29-22)33-12-19(32)28-16-7-5-15(24)6-8-16/h3-11H,12H2,1-2H3,(H,28,32)
InChIKeyWNLFXCNEXVNULJ-UHFFFAOYSA-N
XLogP5.21
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.42
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methylphenyl)acetamide
CID 50791265
N-(4-ethylphenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791540
2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-fluorophenyl)acetamide
CID 50799170
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 50791402
N-(2-chlorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791456
N-(4-acetylphenyl)-2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791482
2-[1-(3-fluorophenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(3-methoxyphenyl)acetamide
CID 50791483
N-(4-chlorophenyl)-2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791739
N-(4-acetamidophenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791465
N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791149
N-(4-chlorophenyl)-2-[4-ethyl-3-methyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50799267
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791206

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide (CID 50791122) is N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(OCC(=O)Nc4ccc(F)cc4)nc32)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
The InChIKey is WNLFXCNEXVNULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4N4O2/c1-13-3-9-17(10-4-13)31-22-21(14(2)30-31)18(23(25,26)27)11-20(29-22)33-12-19(32)28-16-7-5-15(24)6-8-16/h3-11H,12H2,1-2H3,(H,28,32).
What are the key properties of N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide?
N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide has a molecular weight of 458.42 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide is sourced from PubChem (CID 50791122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).