ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate

C16H14F3N3O2S — CID 19497203

IUPACethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3cccs3)nc21
InChIInChI=1S/C16H14F3N3O2S/c1-3-24-13(23)8-22-15-14(9(2)21-22)10(16(17,18)19)7-11(20-15)12-5-4-6-25-12/h4-7H,3,8H2,1-2H3
InChIKeyQGNOVWMXQFGDNN-UHFFFAOYSA-N
MW369.37 g/mol
LogP4.05
Rot. Bonds4

About ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate

ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate (PubChem CID 19497203) has the molecular formula C16H14F3N3O2S and a molecular weight of 369.37 g/mol. Its IUPAC name is ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate
PubChem CID19497203
Molecular FormulaC16H14F3N3O2S
Molecular Weight369.37 g/mol
Exact Mass369.08
IUPAC Nameethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3cccs3)nc21
InChIInChI=1S/C16H14F3N3O2S/c1-3-24-13(23)8-22-15-14(9(2)21-22)10(16(17,18)19)7-11(20-15)12-5-4-6-25-12/h4-7H,3,8H2,1-2H3
InChIKeyQGNOVWMXQFGDNN-UHFFFAOYSA-N
XLogP4.05
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate (CID 19497203) is ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate is CCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3cccs3)nc21.
What is the InChIKey of ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate?
The InChIKey is QGNOVWMXQFGDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2S/c1-3-24-13(23)8-22-15-14(9(2)21-22)10(16(17,18)19)7-11(20-15)12-5-4-6-25-12/h4-7H,3,8H2,1-2H3.
What are the key properties of ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate?
ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate has a molecular weight of 369.37 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate is sourced from PubChem (CID 19497203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).