2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

C23H17F6N5O2S — CID 168854033

About 2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine

2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 168854033) has the molecular formula C23H17F6N5O2S and a molecular weight of 541.48 g/mol. Its IUPAC name is 2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 168854033
• Molecular Formula: C23H17F6N5O2S
• Molecular Weight: 541.48 g/mol
• Exact Mass: 541.10
• IUPAC Name: 2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: CCS(=O)(=O)c1cc(-c2ccc(C3(C(F)(F)F)CC3)nc2)cnc1-c1nc2cc(C(F)(F)F)ccn2n1
• InChI: InChI=1S/C23H17F6N5O2S/c1-2-37(35,36)16-9-14(13-3-4-17(30-11-13)21(6-7-21)23(27,28)29)12-31-19(16)20-32-18-10-15(22(24,25)26)5-8-34(18)33-20/h3-5,8-12H,2,6-7H2,1H3
• InChIKey: CVLAFFNSKTULEF-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 90.11 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	541.48
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 168854033) is 2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is CCS(=O)(=O)c1cc(-c2ccc(C3(C(F)(F)F)CC3)nc2)cnc1-c1nc2cc(C(F)(F)F)ccn2n1.

What is the InChIKey of 2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is CVLAFFNSKTULEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N5O2S/c1-2-37(35,36)16-9-14(13-3-4-17(30-11-13)21(6-7-21)23(27,28)29)12-31-19(16)20-32-18-10-15(22(24,25)26)5-8-34(18)33-20/h3-5,8-12H,2,6-7H2,1H3.

What are the key properties of 2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine?

2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 541.48 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-ethylsulfonyl-5-[6-[1-(trifluoromethyl)cyclopropyl]-3-pyridinyl]-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 168854033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).