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

C23H25N5O — CID 154640000

IUPAC3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(-c3noc(C4CCCNC4)n3)cc12
InChIInChI=1S/C23H25N5O/c1-3-18-19-12-16(22-27-23(29-28-22)17-5-4-9-24-13-17)6-7-20(19)26-21(18)15-8-10-25-14(2)11-15/h6-8,10-12,17,24,26H,3-5,9,13H2,1-2H3
InChIKeyOXDKJYLOOCWTKQ-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.62
Rot. Bonds4

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

3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 154640000) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID154640000
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCCc1c(-c2ccnc(C)c2)[nH]c2ccc(-c3noc(C4CCCNC4)n3)cc12
InChIInChI=1S/C23H25N5O/c1-3-18-19-12-16(22-27-23(29-28-22)17-5-4-9-24-13-17)6-7-20(19)26-21(18)15-8-10-25-14(2)11-15/h6-8,10-12,17,24,26H,3-5,9,13H2,1-2H3
InChIKeyOXDKJYLOOCWTKQ-UHFFFAOYSA-N
XLogP4.62
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole (CID 154640000) is 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole is CCc1c(-c2ccnc(C)c2)[nH]c2ccc(-c3noc(C4CCCNC4)n3)cc12.
What is the InChIKey of 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is OXDKJYLOOCWTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-3-18-19-12-16(22-27-23(29-28-22)17-5-4-9-24-13-17)6-7-20(19)26-21(18)15-8-10-25-14(2)11-15/h6-8,10-12,17,24,26H,3-5,9,13H2,1-2H3.
What are the key properties of 3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole?
3-[3-ethyl-2-(2-methyl-4-pyridinyl)-1H-indol-5-yl]-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 387.49 g/mol, XLogP of 4.62, 4 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-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 154640000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).