6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide

C22H23F4N5O5S — CID 171655207

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

6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 171655207) has the molecular formula C22H23F4N5O5S and a molecular weight of 545.52 g/mol. Its IUPAC name is 6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
• PubChem CID: 171655207
• Molecular Formula: C22H23F4N5O5S
• Molecular Weight: 545.52 g/mol
• Exact Mass: 545.14
• IUPAC Name: 6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
• SMILES: Cc1c(Oc2ncc(F)cc2OCC(F)(F)F)cnc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)n(C)c12
• InChI: InChI=1S/C22H23F4N5O5S/c1-12-15(36-20-14(8-13(23)9-28-20)35-11-22(24,25)26)10-27-17-16(12)31(3)18(29-17)19(32)30-21(2)4-6-37(33,34)7-5-21/h8-10H,4-7,11H2,1-3H3,(H,30,32)
• InChIKey: CWCKCERTVXLDHW-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 125.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.52
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide?

The IUPAC name of 6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide (CID 171655207) is 6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide.

What is the SMILES notation for 6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide?

The canonical SMILES for 6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide is Cc1c(Oc2ncc(F)cc2OCC(F)(F)F)cnc2nc(C(=O)NC3(C)CCS(=O)(=O)CC3)n(C)c12.

What is the InChIKey of 6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide?

The InChIKey is CWCKCERTVXLDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N5O5S/c1-12-15(36-20-14(8-13(23)9-28-20)35-11-22(24,25)26)10-27-17-16(12)31(3)18(29-17)19(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 6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide?

6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-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 6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1,7-dimethyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 171655207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).