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

C14H17F3N4O2 — CID 50791155

IUPAC2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1cc(C(F)(F)F)c2c(C)nn(C)c2n1
InChIInChI=1S/C14H17F3N4O2/c1-4-5-18-10(22)7-23-11-6-9(14(15,16)17)12-8(2)20-21(3)13(12)19-11/h6H,4-5,7H2,1-3H3,(H,18,22)
InChIKeyQMWAGSOUENAAQY-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.20
Rot. Bonds5

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

2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide (PubChem CID 50791155) has the molecular formula C14H17F3N4O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide.

Molecular Properties

Compound Name2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
PubChem CID50791155
Molecular FormulaC14H17F3N4O2
Molecular Weight330.31 g/mol
Exact Mass330.13
IUPAC Name2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
SMILESCCCNC(=O)COc1cc(C(F)(F)F)c2c(C)nn(C)c2n1
InChIInChI=1S/C14H17F3N4O2/c1-4-5-18-10(22)7-23-11-6-9(14(15,16)17)12-8(2)20-21(3)13(12)19-11/h6H,4-5,7H2,1-3H3,(H,18,22)
InChIKeyQMWAGSOUENAAQY-UHFFFAOYSA-N
XLogP2.20
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.20
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-(2-phenylethyl)acetamide
CID 50791241
N-(4-acetamidophenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791465
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-[(2,3-dimethoxyphenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791549
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 50791243
2-[3,4-dimethyl-1-(4-methylphenyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide
CID 50791670
(2R)-N-(3,4-dimethylphenyl)-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 94079337
N-(furan-2-ylmethyl)-2-[3-methyl-1-(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxyacetamide
CID 50791149
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
N-[(4-chlorophenyl)methyl]-2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxypropanamide
CID 50791423

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide?
The IUPAC name of 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide (CID 50791155) is 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide.
What is the SMILES notation for 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide?
The canonical SMILES for 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide is CCCNC(=O)COc1cc(C(F)(F)F)c2c(C)nn(C)c2n1.
What is the InChIKey of 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide?
The InChIKey is QMWAGSOUENAAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N4O2/c1-4-5-18-10(22)7-23-11-6-9(14(15,16)17)12-8(2)20-21(3)13(12)19-11/h6H,4-5,7H2,1-3H3,(H,18,22).
What are the key properties of 2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide?
2-[1,3-dimethyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-propylacetamide has a molecular weight of 330.31 g/mol, XLogP of 2.20, 5 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-propylacetamide is sourced from PubChem (CID 50791155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).