5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide

C19H18ClF2N5O5S — CID 171655253

About 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide

5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide (PubChem CID 171655253) has the molecular formula C19H18ClF2N5O5S and a molecular weight of 501.90 g/mol. Its IUPAC name is 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide
• PubChem CID: 171655253
• Molecular Formula: C19H18ClF2N5O5S
• Molecular Weight: 501.90 g/mol
• Exact Mass: 501.07
• IUPAC Name: 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide
• SMILES: Cn1c(C(=O)NC2(C)CS(=O)(=O)C2)nc2ccc(Oc3ncc(Cl)cc3OCC(F)F)nc21
• InChI: InChI=1S/C19H18ClF2N5O5S/c1-19(8-33(29,30)9-19)26-17(28)16-24-11-3-4-14(25-15(11)27(16)2)32-18-12(31-7-13(21)22)5-10(20)6-23-18/h3-6,13H,7-9H2,1-2H3,(H,26,28)
• InChIKey: STHAJUAWQCKTSO-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 125.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.90
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide?

The IUPAC name of 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide (CID 171655253) is 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide.

What is the SMILES notation for 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide?

The canonical SMILES for 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide is Cn1c(C(=O)NC2(C)CS(=O)(=O)C2)nc2ccc(Oc3ncc(Cl)cc3OCC(F)F)nc21.

What is the InChIKey of 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide?

The InChIKey is STHAJUAWQCKTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF2N5O5S/c1-19(8-33(29,30)9-19)26-17(28)16-24-11-3-4-14(25-15(11)27(16)2)32-18-12(31-7-13(21)22)5-10(20)6-23-18/h3-6,13H,7-9H2,1-2H3,(H,26,28).

What are the key properties of 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide?

5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide has a molecular weight of 501.90 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-b]pyridine-2-carboxamide is sourced from PubChem (CID 171655253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).