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

C21H20F5N5O5S — CID 171655439

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

7-fluoro-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 171655439) has the molecular formula C21H20F5N5O5S and a molecular weight of 549.48 g/mol. Its IUPAC name is 7-fluoro-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-fluoro-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide
• PubChem CID: 171655439
• Molecular Formula: C21H20F5N5O5S
• Molecular Weight: 549.48 g/mol
• Exact Mass: 549.11
• IUPAC Name: 7-fluoro-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide
• SMILES: Cn1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2cnc(Oc3ncc(F)cc3OCC(F)(F)F)c(F)c21
• InChI: InChI=1S/C21H20F5N5O5S/c1-20(3-5-37(33,34)6-4-20)30-17(32)16-29-12-9-28-19(14(23)15(12)31(16)2)36-18-13(7-11(22)8-27-18)35-10-21(24,25)26/h7-9H,3-6,10H2,1-2H3,(H,30,32)
• InChIKey: LXFGHDWHKROBOL-UHFFFAOYSA-N
• XLogP: 3.07
• 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	549.48
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 7-fluoro-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide (CID 171655439) is 7-fluoro-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide.

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

The canonical SMILES for 7-fluoro-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide is Cn1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2cnc(Oc3ncc(F)cc3OCC(F)(F)F)c(F)c21.

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

The InChIKey is LXFGHDWHKROBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F5N5O5S/c1-20(3-5-37(33,34)6-4-20)30-17(32)16-29-12-9-28-19(14(23)15(12)31(16)2)36-18-13(7-11(22)8-27-18)35-10-21(24,25)26/h7-9H,3-6,10H2,1-2H3,(H,30,32).

What are the key properties of 7-fluoro-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide?

7-fluoro-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 549.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-6-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 171655439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).