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

C19H18F3N5O5S — CID 171655453

IUPAC6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC2(C)CS(=O)(=O)C2)nc2cnc(Oc3ncc(F)cc3OCC(F)F)cc21
InChIInChI=1S/C19H18F3N5O5S/c1-19(8-33(29,30)9-19)26-17(28)16-25-11-6-23-15(4-12(11)27(16)2)32-18-13(31-7-14(21)22)3-10(20)5-24-18/h3-6,14H,7-9H2,1-2H3,(H,26,28)
InChIKeyUOKBEQVDFKRMDG-UHFFFAOYSA-N
MW485.44 g/mol
LogP1.86
Rot. Bonds7

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

6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 171655453) has the molecular formula C19H18F3N5O5S and a molecular weight of 485.44 g/mol. Its IUPAC name is 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID171655453
Molecular FormulaC19H18F3N5O5S
Molecular Weight485.44 g/mol
Exact Mass485.10
IUPAC Name6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC2(C)CS(=O)(=O)C2)nc2cnc(Oc3ncc(F)cc3OCC(F)F)cc21
InChIInChI=1S/C19H18F3N5O5S/c1-19(8-33(29,30)9-19)26-17(28)16-25-11-6-23-15(4-12(11)27(16)2)32-18-13(31-7-14(21)22)3-10(20)5-24-18/h3-6,14H,7-9H2,1-2H3,(H,26,28)
InChIKeyUOKBEQVDFKRMDG-UHFFFAOYSA-N
XLogP1.86
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide with MolForge

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Related Compounds

6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-8-fluoro-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 171552814
6-[[5-ethyl-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 171552866
US20240254114, Example 20
CID 171655155
US20240254114, Example 31
CID 171655163
US20240254114, Example 33
CID 171655253
US20240254114, Example 13
CID 171655263
US20240254114, Example 14
CID 171655274
US20240254114, Example 19
CID 171655280
US20240254114, Example 15
CID 171655429
US20240254114, Example 16
CID 171655457
US20240254114, Example 18
CID 171655544
US20240254114, Example 17
CID 171655556

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide (CID 171655453) is 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide is Cn1c(C(=O)NC2(C)CS(=O)(=O)C2)nc2cnc(Oc3ncc(F)cc3OCC(F)F)cc21.
What is the InChIKey of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is UOKBEQVDFKRMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O5S/c1-19(8-33(29,30)9-19)26-17(28)16-25-11-6-23-15(4-12(11)27(16)2)32-18-13(31-7-14(21)22)3-10(20)5-24-18/h3-6,14H,7-9H2,1-2H3,(H,26,28).
What are the key properties of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide?
6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 485.44 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(3-methyl-1,1-dioxothietan-3-yl)imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 171655453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).