1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone

C17H17Cl2N5O2 — CID 109279150

IUPAC1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)cn2)CC1
InChIInChI=1S/C17H17Cl2N5O2/c1-11(25)23-2-4-24(5-3-23)17(26)15-9-21-16(10-20-15)22-14-7-12(18)6-13(19)8-14/h6-10H,2-5H2,1H3,(H,21,22)
InChIKeyAEXDWXPIOIKVSA-UHFFFAOYSA-N
MW394.26 g/mol
LogP2.83
Rot. Bonds3

About 1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109279150) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109279150
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC Name1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)cn2)CC1
InChIInChI=1S/C17H17Cl2N5O2/c1-11(25)23-2-4-24(5-3-23)17(26)15-9-21-16(10-20-15)22-14-7-12(18)6-13(19)8-14/h6-10H,2-5H2,1H3,(H,21,22)
InChIKeyAEXDWXPIOIKVSA-UHFFFAOYSA-N
XLogP2.83
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(3,5-dichloroanilino)pyrazin-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 109275170
1-[4-[5-(3,4-difluoroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279160
1-[4-[5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279139
1-[4-[5-(1,3-benzodioxol-5-ylamino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279141
1-[4-(5-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103803140
4-[5-(3,5-dimethylanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278795
[5-(3,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109186413
1-[4-[5-(2-methylanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone
CID 109279080
4-[5-(3-chloro-4-fluoroanilino)pyrazine-2-carbonyl]piperazine-1-carbaldehyde
CID 109278818
5-(4-acetylpiperazin-1-yl)-N-(3,5-dichlorophenyl)pyrazine-2-carboxamide
CID 109279284
N-[4-[[5-(morpholine-4-carbonyl)pyrazin-2-yl]amino]phenyl]acetamide
CID 109276515
(5-anilinopyrazin-2-yl)-(4-ethylpiperazin-1-yl)methanone
CID 109278481

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone (CID 109279150) is 1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cnc(Nc3cc(Cl)cc(Cl)c3)cn2)CC1.
What is the InChIKey of 1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is AEXDWXPIOIKVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c1-11(25)23-2-4-24(5-3-23)17(26)15-9-21-16(10-20-15)22-14-7-12(18)6-13(19)8-14/h6-10H,2-5H2,1H3,(H,21,22).
What are the key properties of 1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 394.26 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3,5-dichloroanilino)pyrazine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109279150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).