N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide

C16H12F8N6OS — CID 171490752

IUPACN-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ccn3n2)nn(C)c1NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H12F8N6OS/c1-3-32-10-9(11-25-8-6-7(15(19,20)21)4-5-30(8)28-11)27-29(2)12(10)26-13(31)14(17,18)16(22,23)24/h4-6H,3H2,1-2H3,(H,26,31)
InChIKeyBSJXATSMULIZFU-UHFFFAOYSA-N
MW488.36 g/mol
LogP4.40
Rot. Bonds5

About N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide

N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide (PubChem CID 171490752) has the molecular formula C16H12F8N6OS and a molecular weight of 488.36 g/mol. Its IUPAC name is N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide
PubChem CID171490752
Molecular FormulaC16H12F8N6OS
Molecular Weight488.36 g/mol
Exact Mass488.07
IUPAC NameN-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide
SMILESCCSc1c(-c2nc3cc(C(F)(F)F)ccn3n2)nn(C)c1NC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C16H12F8N6OS/c1-3-32-10-9(11-25-8-6-7(15(19,20)21)4-5-30(8)28-11)27-29(2)12(10)26-13(31)14(17,18)16(22,23)24/h4-6H,3H2,1-2H3,(H,26,31)
InChIKeyBSJXATSMULIZFU-UHFFFAOYSA-N
XLogP4.40
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.36
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide with MolForge

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Related Compounds

N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]pyrazol-5-yl]propanamide
CID 171490747
3-ethylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid;hydrochloride
CID 137404635
5-ethylsulfonyl-2-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyridine-3-carbaldehyde
CID 155730508
2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 168854033
[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methanamine
CID 117258138
7-(1,1-difluoroethyl)-2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 177235937
(E)-1-cyclopropyl-1-[5-ethylsulfonyl-6-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-pyridinyl]-N-(2-methylsulfanylethoxy)methanimine
CID 167201939
2-(3-ethylsulfinyl-4,5,6,7-tetramethylpyrazolo[1,5-a]pyridin-2-yl)-7-(1,1,1,2-tetrafluoropropan-2-yl)-[1,2,4]triazolo[1,5-a]pyridine
CID 146961634
N-(6-bromo-3-ethylsulfanylimidazo[1,2-a]pyridin-2-yl)-4-(trifluoromethyl)benzamide
CID 170092848
3-[[2-ethylsulfonyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]propanenitrile
CID 177235933
5-[3-ethylsulfanyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834125
N-cyclopropyl-2-ethylsulfonyl-N-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 177235912

Frequently Asked Questions

What is the IUPAC name of N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide (CID 171490752) is N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide is CCSc1c(-c2nc3cc(C(F)(F)F)ccn3n2)nn(C)c1NC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is BSJXATSMULIZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F8N6OS/c1-3-32-10-9(11-25-8-6-7(15(19,20)21)4-5-30(8)28-11)27-29(2)12(10)26-13(31)14(17,18)16(22,23)24/h4-6H,3H2,1-2H3,(H,26,31).
What are the key properties of N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide?
N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 488.36 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethylsulfanyl-1-methyl-3-[7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]pyrazol-5-yl]-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 171490752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).