(3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone

C26H26N6O2 — CID 147841915

IUPAC(3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone
SMILESCCC1CN(C(=O)c2ccc(-c3cnc(C)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CCN1
InChIInChI=1S/C26H26N6O2/c1-3-21-16-32(14-13-27-21)26(33)20-11-9-18(10-12-20)22-15-28-17(2)23(29-22)25-31-30-24(34-25)19-7-5-4-6-8-19/h4-12,15,21,27H,3,13-14,16H2,1-2H3
InChIKeyHTDDUFHPNAPQQY-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.99
Rot. Bonds5

About (3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone

(3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone (PubChem CID 147841915) has the molecular formula C26H26N6O2 and a molecular weight of 454.53 g/mol. Its IUPAC name is (3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone.

Molecular Properties

Compound Name(3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone
PubChem CID147841915
Molecular FormulaC26H26N6O2
Molecular Weight454.53 g/mol
Exact Mass454.21
IUPAC Name(3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone
SMILESCCC1CN(C(=O)c2ccc(-c3cnc(C)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CCN1
InChIInChI=1S/C26H26N6O2/c1-3-21-16-32(14-13-27-21)26(33)20-11-9-18(10-12-20)22-15-28-17(2)23(29-22)25-31-30-24(34-25)19-7-5-4-6-8-19/h4-12,15,21,27H,3,13-14,16H2,1-2H3
InChIKeyHTDDUFHPNAPQQY-UHFFFAOYSA-N
XLogP3.99
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-ethylpiperazin-1-yl)methanone
CID 59471772
[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-(3-methylpiperazin-1-yl)methanone
CID 152832775
[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[3-(trifluoromethyl)piperazin-1-yl]methanone;molecular hydrogen
CID 159643070
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 135137140
2-[6-(4-ethylsulfonylphenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole
CID 152905324
1-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 161113880
N-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]acetamide;molecular hydrogen
CID 161451115
1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen
CID 161223720
1,4-diazepan-1-yl-[4-[5-methyl-6-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]phenyl]methanone
CID 135137321
(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 5322328
2-[3-methyl-6-(4-methylsulfonylphenyl)pyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
CID 158428005
[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]-[4-(3,3-dimethylbutyl)-1,4-diazepan-1-yl]methanone;azane
CID 169431208

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone?
The IUPAC name of (3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone (CID 147841915) is (3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone.
What is the SMILES notation for (3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone?
The canonical SMILES for (3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone is CCC1CN(C(=O)c2ccc(-c3cnc(C)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CCN1.
What is the InChIKey of (3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone?
The InChIKey is HTDDUFHPNAPQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O2/c1-3-21-16-32(14-13-27-21)26(33)20-11-9-18(10-12-20)22-15-28-17(2)23(29-22)25-31-30-24(34-25)19-7-5-4-6-8-19/h4-12,15,21,27H,3,13-14,16H2,1-2H3.
What are the key properties of (3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone?
(3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone has a molecular weight of 454.53 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperazin-1-yl)-[4-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]methanone is sourced from PubChem (CID 147841915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).