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

C15H13F3N4O2S — CID 139220932

IUPACethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(N)c2c(C(F)(F)F)cc(-c3cccs3)nc21
InChIInChI=1S/C15H13F3N4O2S/c1-2-24-11(23)7-22-14-12(13(19)21-22)8(15(16,17)18)6-9(20-14)10-4-3-5-25-10/h3-6H,2,7H2,1H3,(H2,19,21)
InChIKeyVIUOTFVEQQYMLO-UHFFFAOYSA-N
MW370.36 g/mol
LogP3.32
Rot. Bonds4

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

ethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate (PubChem CID 139220932) has the molecular formula C15H13F3N4O2S and a molecular weight of 370.36 g/mol. Its IUPAC name is ethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate
PubChem CID139220932
Molecular FormulaC15H13F3N4O2S
Molecular Weight370.36 g/mol
Exact Mass370.07
IUPAC Nameethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate
SMILESCCOC(=O)Cn1nc(N)c2c(C(F)(F)F)cc(-c3cccs3)nc21
InChIInChI=1S/C15H13F3N4O2S/c1-2-24-11(23)7-22-14-12(13(19)21-22)8(15(16,17)18)6-9(20-14)10-4-3-5-25-10/h3-6H,2,7H2,1H3,(H2,19,21)
InChIKeyVIUOTFVEQQYMLO-UHFFFAOYSA-N
XLogP3.32
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate?
The IUPAC name of ethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate (CID 139220932) is ethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate is CCOC(=O)Cn1nc(N)c2c(C(F)(F)F)cc(-c3cccs3)nc21.
What is the InChIKey of ethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate?
The InChIKey is VIUOTFVEQQYMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N4O2S/c1-2-24-11(23)7-22-14-12(13(19)21-22)8(15(16,17)18)6-9(20-14)10-4-3-5-25-10/h3-6H,2,7H2,1H3,(H2,19,21).
What are the key properties of ethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate?
ethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate has a molecular weight of 370.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-amino-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]acetate is sourced from PubChem (CID 139220932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).