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

C22H23F4N5O5S — CID 171655519

About 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]-3-methyl-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]methoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 171655519) 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]methoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
• PubChem CID: 171655519
• Molecular Formula: C22H23F4N5O5S
• Molecular Weight: 545.52 g/mol
• Exact Mass: 545.14
• IUPAC Name: 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide
• SMILES: Cn1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2ccc(OCc3ncc(F)cc3OCC(F)(F)F)nc21
• InChI: InChI=1S/C22H23F4N5O5S/c1-21(5-7-37(33,34)8-6-21)30-20(32)19-28-14-3-4-17(29-18(14)31(19)2)35-11-15-16(9-13(23)10-27-15)36-12-22(24,25)26/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,30,32)
• InChIKey: AFVIRQQWXGEQQJ-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 125.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.52
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]-3-methyl-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]methoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide (CID 171655519) is 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]-3-methyl-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]methoxy]-3-methyl-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]methoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide is Cn1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2ccc(OCc3ncc(F)cc3OCC(F)(F)F)nc21.

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

The InChIKey is AFVIRQQWXGEQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F4N5O5S/c1-21(5-7-37(33,34)8-6-21)30-20(32)19-28-14-3-4-17(29-18(14)31(19)2)35-11-15-16(9-13(23)10-27-15)36-12-22(24,25)26/h3-4,9-10H,5-8,11-12H2,1-2H3,(H,30,32).

What are the key properties of 5-[[5-fluoro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]-3-methyl-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]methoxy]-3-methyl-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 2.72, 7 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]methoxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 171655519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).