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

C22H23N5O4S — CID 67807162

IUPAC3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole
SMILESCCc1noc(N2CCC(Oc3ccc(-n4ccc5cc(S(C)(=O)=O)ccc54)nc3)C2)n1
InChIInChI=1S/C22H23N5O4S/c1-3-20-24-22(31-25-20)26-10-9-17(14-26)30-16-4-7-21(23-13-16)27-11-8-15-12-18(32(2,28)29)5-6-19(15)27/h4-8,11-13,17H,3,9-10,14H2,1-2H3
InChIKeyXXQRSVYRUUVNMA-UHFFFAOYSA-N
MW453.52 g/mol
LogP3.03
Rot. Bonds6

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

3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole (PubChem CID 67807162) has the molecular formula C22H23N5O4S and a molecular weight of 453.52 g/mol. Its IUPAC name is 3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole
PubChem CID67807162
Molecular FormulaC22H23N5O4S
Molecular Weight453.52 g/mol
Exact Mass453.15
IUPAC Name3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole
SMILESCCc1noc(N2CCC(Oc3ccc(-n4ccc5cc(S(C)(=O)=O)ccc54)nc3)C2)n1
InChIInChI=1S/C22H23N5O4S/c1-3-20-24-22(31-25-20)26-10-9-17(14-26)30-16-4-7-21(23-13-16)27-11-8-15-12-18(32(2,28)29)5-6-19(15)27/h4-8,11-13,17H,3,9-10,14H2,1-2H3
InChIKeyXXQRSVYRUUVNMA-UHFFFAOYSA-N
XLogP3.03
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 67617483
5-[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 67616450
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]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 67805116
propan-2-yl 2-[1-[5-[1-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]oxy-2-pyridinyl]indol-5-yl]acetate
CID 158766134
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
1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
CID 67609554
1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid
CID 67615447
3-tert-butyl-5-[4-[4-(4-methylsulfonylphenoxy)cyclohexyl]oxypiperidin-1-yl]-1,2,4-oxadiazole
CID 67457434

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole (CID 67807162) is 3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole is CCc1noc(N2CCC(Oc3ccc(-n4ccc5cc(S(C)(=O)=O)ccc54)nc3)C2)n1.
What is the InChIKey of 3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole?
The InChIKey is XXQRSVYRUUVNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4S/c1-3-20-24-22(31-25-20)26-10-9-17(14-26)30-16-4-7-21(23-13-16)27-11-8-15-12-18(32(2,28)29)5-6-19(15)27/h4-8,11-13,17H,3,9-10,14H2,1-2H3.
What are the key properties of 3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole?
3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole has a molecular weight of 453.52 g/mol, XLogP of 3.03, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 67807162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).