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

C24H27F3N4O5S — CID 171552778

IUPAC6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)NC2(C)CCS(=O)(=O)C(C)(C)C2)nc2ccc(Oc3ncc(F)cc3OCC(F)F)cn12
InChIInChI=1S/C24H27F3N4O5S/c1-14-20(21(32)30-24(4)7-8-37(33,34)23(2,3)13-24)29-19-6-5-16(11-31(14)19)36-22-17(35-12-18(26)27)9-15(25)10-28-22/h5-6,9-11,18H,7-8,12-13H2,1-4H3,(H,30,32)
InChIKeyNXVAEIDFLVSTSC-UHFFFAOYSA-N
MW540.56 g/mol
LogP4.09
Rot. Bonds7

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

6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 171552778) has the molecular formula C24H27F3N4O5S and a molecular weight of 540.56 g/mol. Its IUPAC name is 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID171552778
Molecular FormulaC24H27F3N4O5S
Molecular Weight540.56 g/mol
Exact Mass540.17
IUPAC Name6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
SMILESCc1c(C(=O)NC2(C)CCS(=O)(=O)C(C)(C)C2)nc2ccc(Oc3ncc(F)cc3OCC(F)F)cn12
InChIInChI=1S/C24H27F3N4O5S/c1-14-20(21(32)30-24(4)7-8-37(33,34)23(2,3)13-24)29-19-6-5-16(11-31(14)19)36-22-17(35-12-18(26)27)9-15(25)10-28-22/h5-6,9-11,18H,7-8,12-13H2,1-4H3,(H,30,32)
InChIKeyNXVAEIDFLVSTSC-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-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-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide (CID 171552778) is 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is Cc1c(C(=O)NC2(C)CCS(=O)(=O)C(C)(C)C2)nc2ccc(Oc3ncc(F)cc3OCC(F)F)cn12.
What is the InChIKey of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is NXVAEIDFLVSTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N4O5S/c1-14-20(21(32)30-24(4)7-8-37(33,34)23(2,3)13-24)29-19-6-5-16(11-31(14)19)36-22-17(35-12-18(26)27)9-15(25)10-28-22/h5-6,9-11,18H,7-8,12-13H2,1-4H3,(H,30,32).
What are the key properties of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide?
6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 540.56 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-3-methyl-N-(2,2,4-trimethyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 171552778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).