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

C21H20ClF3N4O5S — CID 176911217

IUPAC6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cn3cc(Oc4ncc(Cl)cc4OCC(F)(F)F)ccc3n2)CCS(=O)(=O)CC1
InChIInChI=1S/C21H20ClF3N4O5S/c1-20(4-6-35(31,32)7-5-20)28-18(30)15-11-29-10-14(2-3-17(29)27-15)34-19-16(8-13(22)9-26-19)33-12-21(23,24)25/h2-3,8-11H,4-7,12H2,1H3,(H,28,30)
InChIKeyRNYWROOZYXTBSF-UHFFFAOYSA-N
MW532.93 g/mol
LogP3.81
Rot. Bonds6

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

6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 176911217) has the molecular formula C21H20ClF3N4O5S and a molecular weight of 532.93 g/mol. Its IUPAC name is 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID176911217
Molecular FormulaC21H20ClF3N4O5S
Molecular Weight532.93 g/mol
Exact Mass532.08
IUPAC Name6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCC1(NC(=O)c2cn3cc(Oc4ncc(Cl)cc4OCC(F)(F)F)ccc3n2)CCS(=O)(=O)CC1
InChIInChI=1S/C21H20ClF3N4O5S/c1-20(4-6-35(31,32)7-5-20)28-18(30)15-11-29-10-14(2-3-17(29)27-15)34-19-16(8-13(22)9-26-19)33-12-21(23,24)25/h2-3,8-11H,4-7,12H2,1H3,(H,28,30)
InChIKeyRNYWROOZYXTBSF-UHFFFAOYSA-N
XLogP3.81
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.93
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-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]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 176911217) is 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is CC1(NC(=O)c2cn3cc(Oc4ncc(Cl)cc4OCC(F)(F)F)ccc3n2)CCS(=O)(=O)CC1.
What is the InChIKey of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is RNYWROOZYXTBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClF3N4O5S/c1-20(4-6-35(31,32)7-5-20)28-18(30)15-11-29-10-14(2-3-17(29)27-15)34-19-16(8-13(22)9-26-19)33-12-21(23,24)25/h2-3,8-11H,4-7,12H2,1H3,(H,28,30).
What are the key properties of 6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 532.93 g/mol, XLogP of 3.81, 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]-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 176911217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).