5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

C24H26FN5O4S — CID 67616547

IUPAC5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(Oc3ccc(-n4ccc5cc(S(C)(=O)=O)cc(F)c54)nc3)CC2)n1
InChIInChI=1S/C24H26FN5O4S/c1-15(2)23-27-24(34-28-23)29-9-7-17(8-10-29)33-18-4-5-21(26-14-18)30-11-6-16-12-19(35(3,31)32)13-20(25)22(16)30/h4-6,11-15,17H,7-10H2,1-3H3
InChIKeyKJOYYESWQMCPAH-UHFFFAOYSA-N
MW499.57 g/mol
LogP4.12
Rot. Bonds6

About 5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole

5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 67616547) has the molecular formula C24H26FN5O4S and a molecular weight of 499.57 g/mol. Its IUPAC name is 5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID67616547
Molecular FormulaC24H26FN5O4S
Molecular Weight499.57 g/mol
Exact Mass499.17
IUPAC Name5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(N2CCC(Oc3ccc(-n4ccc5cc(S(C)(=O)=O)cc(F)c54)nc3)CC2)n1
InChIInChI=1S/C24H26FN5O4S/c1-15(2)23-27-24(34-28-23)29-9-7-17(8-10-29)33-18-4-5-21(26-14-18)30-11-6-16-12-19(35(3,31)32)13-20(25)22(16)30/h4-6,11-15,17H,7-10H2,1-3H3
InChIKeyKJOYYESWQMCPAH-UHFFFAOYSA-N
XLogP4.12
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 67616547) is 5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(N2CCC(Oc3ccc(-n4ccc5cc(S(C)(=O)=O)cc(F)c54)nc3)CC2)n1.
What is the InChIKey of 5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is KJOYYESWQMCPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O4S/c1-15(2)23-27-24(34-28-23)29-9-7-17(8-10-29)33-18-4-5-21(26-14-18)30-11-6-16-12-19(35(3,31)32)13-20(25)22(16)30/h4-6,11-15,17H,7-10H2,1-3H3.
What are the key properties of 5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 499.57 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[6-(7-fluoro-5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 67616547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).