6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

C22H23ClF3N5O4S — CID 171553169

IUPAC6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1cc2nc(C(=O)NC3(C)CCS(=O)CC3)nn2c(C)c1Oc1ncc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C22H23ClF3N5O4S/c1-12-8-16-28-18(19(32)29-21(3)4-6-36(33)7-5-21)30-31(16)13(2)17(12)35-20-15(9-14(23)10-27-20)34-11-22(24,25)26/h8-10H,4-7,11H2,1-3H3,(H,29,32)
InChIKeyNEJGVLLUYVCBGR-UHFFFAOYSA-N
MW545.97 g/mol
LogP4.16
Rot. Bonds6

About 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide

6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 171553169) has the molecular formula C22H23ClF3N5O4S and a molecular weight of 545.97 g/mol. Its IUPAC name is 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
PubChem CID171553169
Molecular FormulaC22H23ClF3N5O4S
Molecular Weight545.97 g/mol
Exact Mass545.11
IUPAC Name6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCc1cc2nc(C(=O)NC3(C)CCS(=O)CC3)nn2c(C)c1Oc1ncc(Cl)cc1OCC(F)(F)F
InChIInChI=1S/C22H23ClF3N5O4S/c1-12-8-16-28-18(19(32)29-21(3)4-6-36(33)7-5-21)30-31(16)13(2)17(12)35-20-15(9-14(23)10-27-20)34-11-22(24,25)26/h8-10H,4-7,11H2,1-3H3,(H,29,32)
InChIKeyNEJGVLLUYVCBGR-UHFFFAOYSA-N
XLogP4.16
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.97
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The IUPAC name of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 171553169) is 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is Cc1cc2nc(C(=O)NC3(C)CCS(=O)CC3)nn2c(C)c1Oc1ncc(Cl)cc1OCC(F)(F)F.
What is the InChIKey of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is NEJGVLLUYVCBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N5O4S/c1-12-8-16-28-18(19(32)29-21(3)4-6-36(33)7-5-21)30-31(16)13(2)17(12)35-20-15(9-14(23)10-27-20)34-11-22(24,25)26/h8-10H,4-7,11H2,1-3H3,(H,29,32).
What are the key properties of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 545.97 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5,7-dimethyl-N-(4-methyl-1-oxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 171553169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).