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

C19H19F3N4O2 — CID 50791241

IUPAC2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
SMILESCc1nn(C)c2nc(OCC(=O)NCCc3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H19F3N4O2/c1-12-17-14(19(20,21)22)10-16(24-18(17)26(2)25-12)28-11-15(27)23-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,23,27)
InChIKeyQATFGZZZPMUWCY-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.03
Rot. Bonds6

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

2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide (PubChem CID 50791241) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
PubChem CID50791241
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
SMILESCc1nn(C)c2nc(OCC(=O)NCCc3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C19H19F3N4O2/c1-12-17-14(19(20,21)22)10-16(24-18(17)26(2)25-12)28-11-15(27)23-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,23,27)
InChIKeyQATFGZZZPMUWCY-UHFFFAOYSA-N
XLogP3.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
CID 50791155
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-methylphenyl)acetamide
CID 50791546
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 50791157
N-(4-acetamidophenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791465
N-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791549
2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]-N-(2-phenylethyl)acetamide
CID 20944248
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1R)-1-phenylethyl]acetamide
CID 94078983
2-[1-(4-ethylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[(1S)-1-phenylethyl]acetamide
CID 94078982
2-[1-(3-chloro-2-methylphenyl)-3,4-dimethylpyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide
CID 50791645
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 50791243
N-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 53242213
N-(3,4-difluorophenyl)-2-[1-methyl-3-phenyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50799591

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide (CID 50791241) is 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide is Cc1nn(C)c2nc(OCC(=O)NCCc3ccccc3)cc(C(F)(F)F)c12.
What is the InChIKey of 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide?
The InChIKey is QATFGZZZPMUWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-12-17-14(19(20,21)22)10-16(24-18(17)26(2)25-12)28-11-15(27)23-9-8-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3,(H,23,27).
What are the key properties of 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide?
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide has a molecular weight of 392.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 50791241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).