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

C22H23F4N5O5S — CID 171655128

IUPAC5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
SMILESCc1cc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)n(C)c2nc1Oc1ncc(F)cc1OCC(F)(F)F
InChIInChI=1S/C22H23F4N5O5S/c1-12-8-14-16(29-19(12)36-20-15(9-13(23)10-27-20)35-11-22(24,25)26)31(3)17(28-14)18(32)30-21(2)4-6-37(33,34)7-5-21/h8-10H,4-7,11H2,1-3H3,(H,30,32)
InChIKeyLPSVPMLOIOITCO-UHFFFAOYSA-N
MW545.52 g/mol
LogP3.24
Rot. Bonds6

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

5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 171655128) has the molecular formula C22H23F4N5O5S and a molecular weight of 545.52 g/mol. Its IUPAC name is 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
PubChem CID171655128
Molecular FormulaC22H23F4N5O5S
Molecular Weight545.52 g/mol
Exact Mass545.14
IUPAC Name5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
SMILESCc1cc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)n(C)c2nc1Oc1ncc(F)cc1OCC(F)(F)F
InChIInChI=1S/C22H23F4N5O5S/c1-12-8-14-16(29-19(12)36-20-15(9-13(23)10-27-20)35-11-22(24,25)26)31(3)17(28-14)18(32)30-21(2)4-6-37(33,34)7-5-21/h8-10H,4-7,11H2,1-3H3,(H,30,32)
InChIKeyLPSVPMLOIOITCO-UHFFFAOYSA-N
XLogP3.24
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.52
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide?
The IUPAC name of 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide (CID 171655128) is 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide.
What is the SMILES notation for 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide?
The canonical SMILES for 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide is Cc1cc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)n(C)c2nc1Oc1ncc(F)cc1OCC(F)(F)F.
What is the InChIKey of 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide?
The InChIKey is LPSVPMLOIOITCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N5O5S/c1-12-8-14-16(29-19(12)36-20-15(9-13(23)10-27-20)35-11-22(24,25)26)31(3)17(28-14)18(32)30-21(2)4-6-37(33,34)7-5-21/h8-10H,4-7,11H2,1-3H3,(H,30,32).
What are the key properties of 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide?
5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 545.52 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3,6-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 171655128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).