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

C25H29N5O4S — CID 67805116

IUPAC5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CCC(Oc3ccc(-n4ccc5cc(S(C)(=O)=O)ccc54)nc3)CC2)n1
InChIInChI=1S/C25H29N5O4S/c1-17(2)25-27-24(34-28-25)16-29-11-9-19(10-12-29)33-20-4-7-23(26-15-20)30-13-8-18-14-21(35(3,31)32)5-6-22(18)30/h4-8,13-15,17,19H,9-12,16H2,1-3H3
InChIKeyLOCSVIBKMSWQKY-UHFFFAOYSA-N
MW495.61 g/mol
LogP3.98
Rot. Bonds7

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

5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole (PubChem CID 67805116) has the molecular formula C25H29N5O4S and a molecular weight of 495.61 g/mol. Its IUPAC name is 5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
PubChem CID67805116
Molecular FormulaC25H29N5O4S
Molecular Weight495.61 g/mol
Exact Mass495.19
IUPAC Name5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1noc(CN2CCC(Oc3ccc(-n4ccc5cc(S(C)(=O)=O)ccc54)nc3)CC2)n1
InChIInChI=1S/C25H29N5O4S/c1-17(2)25-27-24(34-28-25)16-29-11-9-19(10-12-29)33-20-4-7-23(26-15-20)30-13-8-18-14-21(35(3,31)32)5-6-22(18)30/h4-8,13-15,17,19H,9-12,16H2,1-3H3
InChIKeyLOCSVIBKMSWQKY-UHFFFAOYSA-N
XLogP3.98
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.61
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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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
5-methylsulfonyl-1-(5-piperidin-4-yloxy-2-pyridinyl)indole
CID 67616611
ethyl 4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 67632421
3-ethyl-5-[3-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 67807162
5-[[4-[4-[(5-methylsulfonyl-2-pyridinyl)oxy]cyclohexyl]oxypiperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 53492532
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
tert-butyl 4-[[6-[5-(3-methyl-2-oxobutyl)indol-1-yl]-3-pyridinyl]oxy]piperidine-1-carboxylate
CID 161459353
1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-ol
CID 60719354
1-[5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]oxy-2-pyridinyl]indole-5-carboxylic acid
CID 67615447
2-methyl-4-[5-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-yl]oxy-2-pyridinyl]benzoic acid
CID 59567867
1-[5-[1-[2-(dimethylamino)acetyl]piperidin-4-yl]oxy-2-pyridinyl]-N,N-dimethylindole-5-carboxamide
CID 67609554

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-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]methyl]-3-propan-2-yl-1,2,4-oxadiazole (CID 67805116) is 5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-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]methyl]-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]methyl]-3-propan-2-yl-1,2,4-oxadiazole is CC(C)c1noc(CN2CCC(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]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is LOCSVIBKMSWQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O4S/c1-17(2)25-27-24(34-28-25)16-29-11-9-19(10-12-29)33-20-4-7-23(26-15-20)30-13-8-18-14-21(35(3,31)32)5-6-22(18)30/h4-8,13-15,17,19H,9-12,16H2,1-3H3.
What are the key properties of 5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole?
5-[[4-[[6-(5-methylsulfonylindol-1-yl)-3-pyridinyl]oxy]piperidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 495.61 g/mol, XLogP of 3.98, 7 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]methyl]-3-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 67805116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).