N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide

C17H15F3N4O2S — CID 32661403

IUPACN-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2nnc3ccc(C(F)(F)F)cn23)c1
InChIInChI=1S/C17H15F3N4O2S/c1-26-13-4-2-3-11(7-13)8-21-15(25)10-27-16-23-22-14-6-5-12(9-24(14)16)17(18,19)20/h2-7,9H,8,10H2,1H3,(H,21,25)
InChIKeyJYGPNLQZGXYDQY-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.17
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide

N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide (PubChem CID 32661403) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
PubChem CID32661403
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC NameN-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide
SMILESCOc1cccc(CNC(=O)CSc2nnc3ccc(C(F)(F)F)cn23)c1
InChIInChI=1S/C17H15F3N4O2S/c1-26-13-4-2-3-11(7-13)8-21-15(25)10-27-16-23-22-14-6-5-12(9-24(14)16)17(18,19)20/h2-7,9H,8,10H2,1H3,(H,21,25)
InChIKeyJYGPNLQZGXYDQY-UHFFFAOYSA-N
XLogP3.17
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]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 N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide (CID 32661403) is N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide is COc1cccc(CNC(=O)CSc2nnc3ccc(C(F)(F)F)cn23)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
The InChIKey is JYGPNLQZGXYDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-26-13-4-2-3-11(7-13)8-21-15(25)10-27-16-23-22-14-6-5-12(9-24(14)16)17(18,19)20/h2-7,9H,8,10H2,1H3,(H,21,25).
What are the key properties of N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide?
N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide has a molecular weight of 396.39 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-2-[[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]acetamide is sourced from PubChem (CID 32661403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).