3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

C25H29N5O — CID 154640136

IUPAC3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(-c3noc(CCC4CCNCC4)n3)cc12
InChIInChI=1S/C25H29N5O/c1-3-20-21-15-19(5-6-22(21)28-24(20)18-10-13-27-16(2)14-18)25-29-23(31-30-25)7-4-17-8-11-26-12-9-17/h5-6,10,13-15,17,26,28H,3-4,7-9,11-12H2,1-2H3
InChIKeyPEFZLEUDKNXIDP-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.08
Rot. Bonds6

About 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole

3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (PubChem CID 154640136) has the molecular formula C25H29N5O and a molecular weight of 415.54 g/mol. Its IUPAC name is 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
PubChem CID154640136
Molecular FormulaC25H29N5O
Molecular Weight415.54 g/mol
Exact Mass415.24
IUPAC Name3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(-c3noc(CCC4CCNCC4)n3)cc12
InChIInChI=1S/C25H29N5O/c1-3-20-21-15-19(5-6-22(21)28-24(20)18-10-13-27-16(2)14-18)25-29-23(31-30-25)7-4-17-8-11-26-12-9-17/h5-6,10,13-15,17,26,28H,3-4,7-9,11-12H2,1-2H3
InChIKeyPEFZLEUDKNXIDP-UHFFFAOYSA-N
XLogP5.08
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 9976750
4-[5-[3-(2-aminoethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
CID 10383965
3-(1-Methylindol-3-yl)-5-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole
CID 9818162
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 9927016
2-[5-(3-benzyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]-N,N-dimethylethanamine
CID 9974915
2-[5-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1H-indol-3-yl]ethanamine
CID 9996008
2-[5-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10067088
N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]acetamide
CID 10068921
N-[4-[5-[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]methanesulfonamide
CID 10094731
2-[5-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1H-indol-3-yl]ethanamine
CID 10107953
N-[4-[[5-[[3-(2-aminoethyl)-1H-indol-5-yl]methyl]-1,2,4-oxadiazol-3-yl]methyl]phenyl]methanesulfonamide
CID 10251827
2-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-1H-indol-3-yl]ethanamine
CID 10332637

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole (CID 154640136) is 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is CCc1c(-c2ccnc(C)c2)[nH]c2ccc(-c3noc(CCC4CCNCC4)n3)cc12.
What is the InChIKey of 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
The InChIKey is PEFZLEUDKNXIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O/c1-3-20-21-15-19(5-6-22(21)28-24(20)18-10-13-27-16(2)14-18)25-29-23(31-30-25)7-4-17-8-11-26-12-9-17/h5-6,10,13-15,17,26,28H,3-4,7-9,11-12H2,1-2H3.
What are the key properties of 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole?
3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole has a molecular weight of 415.54 g/mol, XLogP of 5.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154640136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).