2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C21H21N7O2 — CID 53013383

IUPAC2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ncccn5)CC4)c3c2)o1
InChIInChI=1S/C21H21N7O2/c1-15-24-25-20(30-15)17-4-3-16-5-8-28(18(16)13-17)14-19(29)26-9-11-27(12-10-26)21-22-6-2-7-23-21/h2-8,13H,9-12,14H2,1H3
InChIKeyHIKSEEIQVIPRGD-UHFFFAOYSA-N
MW403.45 g/mol
LogP2.14
Rot. Bonds4

About 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 53013383) has the molecular formula C21H21N7O2 and a molecular weight of 403.45 g/mol. Its IUPAC name is 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID53013383
Molecular FormulaC21H21N7O2
Molecular Weight403.45 g/mol
Exact Mass403.18
IUPAC Name2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ncccn5)CC4)c3c2)o1
InChIInChI=1S/C21H21N7O2/c1-15-24-25-20(30-15)17-4-3-16-5-8-28(18(16)13-17)14-19(29)26-9-11-27(12-10-26)21-22-6-2-7-23-21/h2-8,13H,9-12,14H2,1H3
InChIKeyHIKSEEIQVIPRGD-UHFFFAOYSA-N
XLogP2.14
TPSA93.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.45
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 53013383) is 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1nnc(-c2ccc3ccn(CC(=O)N4CCN(c5ncccn5)CC4)c3c2)o1.
What is the InChIKey of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is HIKSEEIQVIPRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O2/c1-15-24-25-20(30-15)17-4-3-16-5-8-28(18(16)13-17)14-19(29)26-9-11-27(12-10-26)21-22-6-2-7-23-21/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 403.45 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(5-methyl-1,3,4-oxadiazol-2-yl)indol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 53013383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).