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

C24H27F3N4O5S — CID 171552866

IUPAC6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCc1cnc(Oc2ccc3nc(C(=O)NC4(C)CCS(=O)(=O)CC4)c(C)n3c2)c(OCC(F)(F)F)c1
InChIInChI=1S/C24H27F3N4O5S/c1-4-16-11-18(35-14-24(25,26)27)22(28-12-16)36-17-5-6-19-29-20(15(2)31(19)13-17)21(32)30-23(3)7-9-37(33,34)10-8-23/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,30,32)
InChIKeyZTZFGZFOLLDSKP-UHFFFAOYSA-N
MW540.56 g/mol
LogP4.03
Rot. Bonds7

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

6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 171552866) has the molecular formula C24H27F3N4O5S and a molecular weight of 540.56 g/mol. Its IUPAC name is 6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID171552866
Molecular FormulaC24H27F3N4O5S
Molecular Weight540.56 g/mol
Exact Mass540.17
IUPAC Name6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCc1cnc(Oc2ccc3nc(C(=O)NC4(C)CCS(=O)(=O)CC4)c(C)n3c2)c(OCC(F)(F)F)c1
InChIInChI=1S/C24H27F3N4O5S/c1-4-16-11-18(35-14-24(25,26)27)22(28-12-16)36-17-5-6-19-29-20(15(2)31(19)13-17)21(32)30-23(3)7-9-37(33,34)10-8-23/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,30,32)
InChIKeyZTZFGZFOLLDSKP-UHFFFAOYSA-N
XLogP4.03
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.56
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-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-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 171552866) is 6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is CCc1cnc(Oc2ccc3nc(C(=O)NC4(C)CCS(=O)(=O)CC4)c(C)n3c2)c(OCC(F)(F)F)c1.
What is the InChIKey of 6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is ZTZFGZFOLLDSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O5S/c1-4-16-11-18(35-14-24(25,26)27)22(28-12-16)36-17-5-6-19-29-20(15(2)31(19)13-17)21(32)30-23(3)7-9-37(33,34)10-8-23/h5-6,11-13H,4,7-10,14H2,1-3H3,(H,30,32).
What are the key properties of 6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 540.56 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 171552866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).