[2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride

C19H23Cl2N5O — CID 120741050

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2nccn3ccnc23)cc1.Cl.Cl
InChIInChI=1S/C19H21N5O.2ClH/c1-2-14-3-5-15(6-4-14)16-13-20-7-12-24(16)19(25)17-18-22-9-11-23(18)10-8-21-17;;/h3-6,8-11,16,20H,2,7,12-13H2,1H3;2*1H
InChIKeyWRXWXDMCAXZPJJ-UHFFFAOYSA-N
MW408.33 g/mol
LogP2.92
Rot. Bonds3

About [2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride

[2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride (PubChem CID 120741050) has the molecular formula C19H23Cl2N5O and a molecular weight of 408.33 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride
PubChem CID120741050
Molecular FormulaC19H23Cl2N5O
Molecular Weight408.33 g/mol
Exact Mass407.13
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)c2nccn3ccnc23)cc1.Cl.Cl
InChIInChI=1S/C19H21N5O.2ClH/c1-2-14-3-5-15(6-4-14)16-13-20-7-12-24(16)19(25)17-18-22-9-11-23(18)10-8-21-17;;/h3-6,8-11,16,20H,2,7,12-13H2,1H3;2*1H
InChIKeyWRXWXDMCAXZPJJ-UHFFFAOYSA-N
XLogP2.92
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

imidazo[1,2-a]pyrazin-8-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120878426
(3-chloro-4-pyridinyl)-[2-(4-ethylphenyl)piperazin-1-yl]methanone;dihydrochloride
CID 120740616
[2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride
CID 120741702
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
[2-(4-ethylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
CID 120740490
[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
[2-(4-ethylphenyl)piperazin-1-yl]-(3-pyridin-2-yl-1,2-oxazol-5-yl)methanone;dihydrochloride
CID 120740792
[2-(4-ethylphenyl)piperazin-1-yl]-(5-methylsulfanylfuran-2-yl)methanone;hydrochloride
CID 120741554
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one;hydrochloride
CID 120740205
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
1-[2-(4-ethylphenyl)piperazin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one;dihydrochloride
CID 120740568

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride (CID 120741050) is [2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride is CCc1ccc(C2CNCCN2C(=O)c2nccn3ccnc23)cc1.Cl.Cl.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride?
The InChIKey is WRXWXDMCAXZPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O.2ClH/c1-2-14-3-5-15(6-4-14)16-13-20-7-12-24(16)19(25)17-18-22-9-11-23(18)10-8-21-17;;/h3-6,8-11,16,20H,2,7,12-13H2,1H3;2*1H.
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride?
[2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride has a molecular weight of 408.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)piperazin-1-yl]-imidazo[1,2-a]pyrazin-8-ylmethanone;dihydrochloride is sourced from PubChem (CID 120741050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).