ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

C14H12F3N3O2S — CID 135583811

IUPACethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)Nc2[nH]ncc2C1c1cccs1
InChIInChI=1S/C14H12F3N3O2S/c1-2-22-13(21)10-9(8-4-3-5-23-8)7-6-18-20-12(7)19-11(10)14(15,16)17/h3-6,9H,2H2,1H3,(H2,18,19,20)
InChIKeyWGHUTNKKRWHIPZ-UHFFFAOYSA-N
MW343.33 g/mol
LogP3.41
Rot. Bonds3

About ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate

ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 135583811) has the molecular formula C14H12F3N3O2S and a molecular weight of 343.33 g/mol. Its IUPAC name is ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
PubChem CID135583811
Molecular FormulaC14H12F3N3O2S
Molecular Weight343.33 g/mol
Exact Mass343.06
IUPAC Nameethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C(F)(F)F)Nc2[nH]ncc2C1c1cccs1
InChIInChI=1S/C14H12F3N3O2S/c1-2-22-13(21)10-9(8-4-3-5-23-8)7-6-18-20-12(7)19-11(10)14(15,16)17/h3-6,9H,2H2,1H3,(H2,18,19,20)
InChIKeyWGHUTNKKRWHIPZ-UHFFFAOYSA-N
XLogP3.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate (CID 135583811) is ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is CCOC(=O)C1=C(C(F)(F)F)Nc2[nH]ncc2C1c1cccs1.
What is the InChIKey of ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is WGHUTNKKRWHIPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O2S/c1-2-22-13(21)10-9(8-4-3-5-23-8)7-6-18-20-12(7)19-11(10)14(15,16)17/h3-6,9H,2H2,1H3,(H2,18,19,20).
What are the key properties of ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate?
ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 343.33 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-thiophen-2-yl-6-(trifluoromethyl)-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 135583811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).