2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C17H15F3N4O5S2 — CID 155685565

IUPAC2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-n1nc2ccc(S(=O)(=O)C(F)(F)F)cn2c1=O
InChIInChI=1S/C17H15F3N4O5S2/c1-2-30(26,27)13-7-11(10-3-4-10)8-21-15(13)24-16(25)23-9-12(5-6-14(23)22-24)31(28,29)17(18,19)20/h5-10H,2-4H2,1H3
InChIKeyVWSUNFMXXPYNSU-UHFFFAOYSA-N
MW476.46 g/mol
LogP1.84
Rot. Bonds5

About 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 155685565) has the molecular formula C17H15F3N4O5S2 and a molecular weight of 476.46 g/mol. Its IUPAC name is 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID155685565
Molecular FormulaC17H15F3N4O5S2
Molecular Weight476.46 g/mol
Exact Mass476.04
IUPAC Name2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCS(=O)(=O)c1cc(C2CC2)cnc1-n1nc2ccc(S(=O)(=O)C(F)(F)F)cn2c1=O
InChIInChI=1S/C17H15F3N4O5S2/c1-2-30(26,27)13-7-11(10-3-4-10)8-21-15(13)24-16(25)23-9-12(5-6-14(23)22-24)31(28,29)17(18,19)20/h5-10H,2-4H2,1H3
InChIKeyVWSUNFMXXPYNSU-UHFFFAOYSA-N
XLogP1.84
TPSA120.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one 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-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 155685565) is 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCS(=O)(=O)c1cc(C2CC2)cnc1-n1nc2ccc(S(=O)(=O)C(F)(F)F)cn2c1=O.
What is the InChIKey of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is VWSUNFMXXPYNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O5S2/c1-2-30(26,27)13-7-11(10-3-4-10)8-21-15(13)24-16(25)23-9-12(5-6-14(23)22-24)31(28,29)17(18,19)20/h5-10H,2-4H2,1H3.
What are the key properties of 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 476.46 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-3-ethylsulfonyl-2-pyridinyl)-6-(trifluoromethylsulfonyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 155685565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).