[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone

C22H22N8O2 — CID 90491287

IUPAC[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCCc1nc(-c2ccc(N3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)nc2)no1
InChIInChI=1S/C22H22N8O2/c1-2-20-25-21(27-32-20)16-8-9-19(23-14-16)28-10-12-29(13-11-28)22(31)18-15-24-30(26-18)17-6-4-3-5-7-17/h3-9,14-15H,2,10-13H2,1H3
InChIKeyBSCCXEIMBWVJPQ-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.24
Rot. Bonds5

About [4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone

[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone (PubChem CID 90491287) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is [4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
PubChem CID90491287
Molecular FormulaC22H22N8O2
Molecular Weight430.47 g/mol
Exact Mass430.19
IUPAC Name[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
SMILESCCc1nc(-c2ccc(N3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)nc2)no1
InChIInChI=1S/C22H22N8O2/c1-2-20-25-21(27-32-20)16-8-9-19(23-14-16)28-10-12-29(13-11-28)22(31)18-15-24-30(26-18)17-6-4-3-5-7-17/h3-9,14-15H,2,10-13H2,1H3
InChIKeyBSCCXEIMBWVJPQ-UHFFFAOYSA-N
XLogP2.24
TPSA106.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 71780497
6-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-2-methylpyridazin-3-one
CID 90491302
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90491305
1,3-benzothiazol-2-yl-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 90491337
1-[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 90491330
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122334029
[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 90491240
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 122341014
[4-[6-(1,3-benzodioxol-5-yl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 121059939
(2-phenyltriazol-4-yl)-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122344085
[4-[5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 90491428
(2,6-difluorophenyl)-[4-[5-(4-ethyl-1,3-thiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
CID 53172823

Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The IUPAC name of [4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone (CID 90491287) is [4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone.
What is the SMILES notation for [4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The canonical SMILES for [4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone is CCc1nc(-c2ccc(N3CCN(C(=O)c4cnn(-c5ccccc5)n4)CC3)nc2)no1.
What is the InChIKey of [4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
The InChIKey is BSCCXEIMBWVJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-2-20-25-21(27-32-20)16-8-9-19(23-14-16)28-10-12-29(13-11-28)22(31)18-15-24-30(26-18)17-6-4-3-5-7-17/h3-9,14-15H,2,10-13H2,1H3.
What are the key properties of [4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone?
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone has a molecular weight of 430.47 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(2-phenyltriazol-4-yl)methanone is sourced from PubChem (CID 90491287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).