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

C24H27N5O4S — CID 67616450

IUPAC5-[4-[[6-(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)ccc54)nc3)CC2)n1
InChIInChI=1S/C24H27N5O4S/c1-16(2)23-26-24(33-27-23)28-11-9-18(10-12-28)32-19-4-7-22(25-15-19)29-13-8-17-14-20(34(3,30)31)5-6-21(17)29/h4-8,13-16,18H,9-12H2,1-3H3
InChIKeyDFPBJKOOPQXUGM-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.98
Rot. Bonds6

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

5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 67616450) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID67616450
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name5-[4-[[6-(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)ccc54)nc3)CC2)n1
InChIInChI=1S/C24H27N5O4S/c1-16(2)23-26-24(33-27-23)28-11-9-18(10-12-28)32-19-4-7-22(25-15-19)29-13-8-17-14-20(34(3,30)31)5-6-21(17)29/h4-8,13-16,18H,9-12H2,1-3H3
InChIKeyDFPBJKOOPQXUGM-UHFFFAOYSA-N
XLogP3.98
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[6-(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-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole (CID 67616450) is 5-[4-[[6-(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-(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-(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)ccc54)nc3)CC2)n1.
What is the InChIKey of 5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is DFPBJKOOPQXUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-16(2)23-26-24(33-27-23)28-11-9-18(10-12-28)32-19-4-7-22(25-15-19)29-13-8-17-14-20(34(3,30)31)5-6-21(17)29/h4-8,13-16,18H,9-12H2,1-3H3.
What are the key properties of 5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 481.58 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 67616450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).