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N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide

C24H19F2N5O6S — CID 168786710

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2c(F)cncc2F)c(-c2cn(C)c(=O)c3oc(-c4nnc(C)o4)cc23)c1
InChIInChI=1S/C24H19F2N5O6S/c1-4-38(33,34)30-13-5-6-19(36-22-17(25)9-27-10-18(22)26)14(7-13)16-11-31(3)24(32)21-15(16)8-20(37-21)23-29-28-12(2)35-23/h5-11,30H,4H2,1-3H3
InChIKeyUHHRQLPMMNSXBZ-UHFFFAOYSA-N
MW543.51 g/mol
LogP4.38
Rot. Bonds7

About N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide

N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide (PubChem CID 168786710) has the molecular formula C24H19F2N5O6S and a molecular weight of 543.51 g/mol. Its IUPAC name is N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
PubChem CID168786710
Molecular FormulaC24H19F2N5O6S
Molecular Weight543.51 g/mol
Exact Mass543.10
IUPAC NameN-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1ccc(Oc2c(F)cncc2F)c(-c2cn(C)c(=O)c3oc(-c4nnc(C)o4)cc23)c1
InChIInChI=1S/C24H19F2N5O6S/c1-4-38(33,34)30-13-5-6-19(36-22-17(25)9-27-10-18(22)26)14(7-13)16-11-31(3)24(32)21-15(16)8-20(37-21)23-29-28-12(2)35-23/h5-11,30H,4H2,1-3H3
InChIKeyUHHRQLPMMNSXBZ-UHFFFAOYSA-N
XLogP4.38
TPSA142.35 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.51
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide?
The IUPAC name of N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide (CID 168786710) is N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1ccc(Oc2c(F)cncc2F)c(-c2cn(C)c(=O)c3oc(-c4nnc(C)o4)cc23)c1.
What is the InChIKey of N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide?
The InChIKey is UHHRQLPMMNSXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O6S/c1-4-38(33,34)30-13-5-6-19(36-22-17(25)9-27-10-18(22)26)14(7-13)16-11-31(3)24(32)21-15(16)8-20(37-21)23-29-28-12(2)35-23/h5-11,30H,4H2,1-3H3.
What are the key properties of N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide?
N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide has a molecular weight of 543.51 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3,5-difluoro-4-pyridinyl)oxy]-3-[6-methyl-2-(5-methyl-1,3,4-oxadiazol-2-yl)-7-oxofuro[2,3-c]pyridin-4-yl]phenyl]ethanesulfonamide is sourced from PubChem (CID 168786710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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