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

C20H18ClF4N5O5S — CID 171553093

IUPAC6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2nc3cc(F)c(Oc4ncc(Cl)cc4OCC(F)(F)F)cn3n2)CCS(=O)(=O)CC1
InChIInChI=1S/C20H18ClF4N5O5S/c1-19(2-4-36(32,33)5-3-19)28-17(31)16-27-15-7-12(22)14(9-30(15)29-16)35-18-13(6-11(21)8-26-18)34-10-20(23,24)25/h6-9H,2-5,10H2,1H3,(H,28,31)
InChIKeyRZMHUVKILPAKRO-UHFFFAOYSA-N
MW551.91 g/mol
LogP3.35
Rot. Bonds6

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

6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (PubChem CID 171553093) has the molecular formula C20H18ClF4N5O5S and a molecular weight of 551.91 g/mol. Its IUPAC name is 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-fluoro-N-(4-methyl-1,1-dioxothian-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]-7-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
PubChem CID171553093
Molecular FormulaC20H18ClF4N5O5S
Molecular Weight551.91 g/mol
Exact Mass551.07
IUPAC Name6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2nc3cc(F)c(Oc4ncc(Cl)cc4OCC(F)(F)F)cn3n2)CCS(=O)(=O)CC1
InChIInChI=1S/C20H18ClF4N5O5S/c1-19(2-4-36(32,33)5-3-19)28-17(31)16-27-15-7-12(22)14(9-30(15)29-16)35-18-13(6-11(21)8-26-18)34-10-20(23,24)25/h6-9H,2-5,10H2,1H3,(H,28,31)
InChIKeyRZMHUVKILPAKRO-UHFFFAOYSA-N
XLogP3.35
TPSA124.78 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.91
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-fluoro-N-(4-methyl-1,1-dioxothian-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]-7-fluoro-N-(4-methyl-1,1-dioxothian-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]-7-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide (CID 171553093) is 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-fluoro-N-(4-methyl-1,1-dioxothian-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]-7-fluoro-N-(4-methyl-1,1-dioxothian-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]-7-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is CC1(NC(=O)c2nc3cc(F)c(Oc4ncc(Cl)cc4OCC(F)(F)F)cn3n2)CCS(=O)(=O)CC1.
What is the InChIKey of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
The InChIKey is RZMHUVKILPAKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClF4N5O5S/c1-19(2-4-36(32,33)5-3-19)28-17(31)16-27-15-7-12(22)14(9-30(15)29-16)35-18-13(6-11(21)8-26-18)34-10-20(23,24)25/h6-9H,2-5,10H2,1H3,(H,28,31).
What are the key properties of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide?
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide has a molecular weight of 551.91 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-7-fluoro-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide is sourced from PubChem (CID 171553093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).