2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide

C22H23F3N4O2S — CID 53247447

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
SMILESCCOc1ccccc1C(C(=O)Nc1cn(C)nc1C(F)(F)F)N1CCc2sccc2C1
InChIInChI=1S/C22H23F3N4O2S/c1-3-31-17-7-5-4-6-15(17)19(29-10-8-18-14(12-29)9-11-32-18)21(30)26-16-13-28(2)27-20(16)22(23,24)25/h4-7,9,11,13,19H,3,8,10,12H2,1-2H3,(H,26,30)
InChIKeyAWNVTIUVQMPCFJ-UHFFFAOYSA-N
MW464.51 g/mol
LogP4.64
Rot. Bonds6

About 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide (PubChem CID 53247447) has the molecular formula C22H23F3N4O2S and a molecular weight of 464.51 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
PubChem CID53247447
Molecular FormulaC22H23F3N4O2S
Molecular Weight464.51 g/mol
Exact Mass464.15
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
SMILESCCOc1ccccc1C(C(=O)Nc1cn(C)nc1C(F)(F)F)N1CCc2sccc2C1
InChIInChI=1S/C22H23F3N4O2S/c1-3-31-17-7-5-4-6-15(17)19(29-10-8-18-14(12-29)9-11-32-18)21(30)26-16-13-28(2)27-20(16)22(23,24)25/h4-7,9,11,13,19H,3,8,10,12H2,1-2H3,(H,26,30)
InChIKeyAWNVTIUVQMPCFJ-UHFFFAOYSA-N
XLogP4.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide 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 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide (CID 53247447) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide is CCOc1ccccc1C(C(=O)Nc1cn(C)nc1C(F)(F)F)N1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
The InChIKey is AWNVTIUVQMPCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O2S/c1-3-31-17-7-5-4-6-15(17)19(29-10-8-18-14(12-29)9-11-32-18)21(30)26-16-13-28(2)27-20(16)22(23,24)25/h4-7,9,11,13,19H,3,8,10,12H2,1-2H3,(H,26,30).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide has a molecular weight of 464.51 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-ethoxyphenyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 53247447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).