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

C21H22F3N5O5S — CID 171655175

IUPAC6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2cnc(Oc3ncc(F)cc3OCC(F)F)cc21
InChIInChI=1S/C21H22F3N5O5S/c1-21(3-5-35(31,32)6-4-21)28-19(30)18-27-13-10-25-17(8-14(13)29(18)2)34-20-15(33-11-16(23)24)7-12(22)9-26-20/h7-10,16H,3-6,11H2,1-2H3,(H,28,30)
InChIKeyXUWKFUPRDNSAEM-UHFFFAOYSA-N
MW513.50 g/mol
LogP2.64
Rot. Bonds7

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

6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 171655175) has the molecular formula C21H22F3N5O5S and a molecular weight of 513.50 g/mol. Its IUPAC name is 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID171655175
Molecular FormulaC21H22F3N5O5S
Molecular Weight513.50 g/mol
Exact Mass513.13
IUPAC Name6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC2(C)CCS(=O)(=O)CC2)nc2cnc(Oc3ncc(F)cc3OCC(F)F)cc21
InChIInChI=1S/C21H22F3N5O5S/c1-21(3-5-35(31,32)6-4-21)28-19(30)18-27-13-10-25-17(8-14(13)29(18)2)34-20-15(33-11-16(23)24)7-12(22)9-26-20/h7-10,16H,3-6,11H2,1-2H3,(H,28,30)
InChIKeyXUWKFUPRDNSAEM-UHFFFAOYSA-N
XLogP2.64
TPSA125.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

6-[(5-chloro-3-ethoxy-2-pyridinyl)oxy]-3-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 171552605
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
6-[[5-chloro-3-(2,2-difluoroethoxy)-2-pyridinyl]oxy]-8-fluoro-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553050
6-[[5-chloro-3-(2,2,2-trifluoroethoxy)-2-pyridinyl]oxy]-5-methyl-N-(4-methyl-1,1-dioxothian-4-yl)-[1,2,4]triazolo[1,5-a]pyridine-2-carboxamide
CID 171553118
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

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-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-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide (CID 171655175) is 6-[[3-(2,2-difluoroethoxy)-5-fluoro-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 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-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-(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)cc21.
What is the InChIKey of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is XUWKFUPRDNSAEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O5S/c1-21(3-5-35(31,32)6-4-21)28-19(30)18-27-13-10-25-17(8-14(13)29(18)2)34-20-15(33-11-16(23)24)7-12(22)9-26-20/h7-10,16H,3-6,11H2,1-2H3,(H,28,30).
What are the key properties of 6-[[3-(2,2-difluoroethoxy)-5-fluoro-2-pyridinyl]oxy]-1-methyl-N-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide?
6-[[3-(2,2-difluoroethoxy)-5-fluoro-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 513.50 g/mol, XLogP of 2.64, 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-(4-methyl-1,1-dioxothian-4-yl)imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 171655175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).