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

C24H27N5O4S — CID 67617483

IUPAC3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(CN2CCC(Oc3ccc(-n4ccc5cc(S(C)(=O)=O)ccc54)nc3)CC2)n1
InChIInChI=1S/C24H27N5O4S/c1-3-22-26-24(33-27-22)16-28-11-9-18(10-12-28)32-19-4-7-23(25-15-19)29-13-8-17-14-20(34(2,30)31)5-6-21(17)29/h4-8,13-15,18H,3,9-12,16H2,1-2H3
InChIKeyHPJUPYGRROIJKJ-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.42
Rot. Bonds7

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

3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 67617483) has the molecular formula C24H27N5O4S and a molecular weight of 481.58 g/mol. Its IUPAC name is 3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID67617483
Molecular FormulaC24H27N5O4S
Molecular Weight481.58 g/mol
Exact Mass481.18
IUPAC Name3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCCc1noc(CN2CCC(Oc3ccc(-n4ccc5cc(S(C)(=O)=O)ccc54)nc3)CC2)n1
InChIInChI=1S/C24H27N5O4S/c1-3-22-26-24(33-27-22)16-28-11-9-18(10-12-28)32-19-4-7-23(25-15-19)29-13-8-17-14-20(34(2,30)31)5-6-21(17)29/h4-8,13-15,18H,3,9-12,16H2,1-2H3
InChIKeyHPJUPYGRROIJKJ-UHFFFAOYSA-N
XLogP3.42
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 67805116
3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 67807162
ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 67632421
5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole
CID 67616611
5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 67616450
5-[[4-(4-ethoxyphenyl)sulfonylpiperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
CID 32873847
5-[[4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 53492532
1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid
CID 67615447
1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
CID 67609554
1-[1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]pyrrolidin-2-one
CID 67807766
1-[5-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]oxy-2-pyridinyl]-N-(2-hydroxyethyl)indole-5-carboxamide
CID 67806870
tert-butyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]amino]piperidine-1-carboxylate
CID 86696183

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 67617483) is 3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole is CCc1noc(CN2CCC(Oc3ccc(-n4ccc5cc(S(C)(=O)=O)ccc54)nc3)CC2)n1.
What is the InChIKey of 3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is HPJUPYGRROIJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4S/c1-3-22-26-24(33-27-22)16-28-11-9-18(10-12-28)32-19-4-7-23(25-15-19)29-13-8-17-14-20(34(2,30)31)5-6-21(17)29/h4-8,13-15,18H,3,9-12,16H2,1-2H3.
What are the key properties of 3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 481.58 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 67617483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).