2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone

C24H30ClN5O3 — CID 58347770

IUPAC2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1nccnc1Cl)N1CCN(C(=O)c2ccnc(OCCC3CCCCC3)c2)CC1
InChIInChI=1S/C24H30ClN5O3/c25-23-20(26-9-10-28-23)17-22(31)29-11-13-30(14-12-29)24(32)19-6-8-27-21(16-19)33-15-7-18-4-2-1-3-5-18/h6,8-10,16,18H,1-5,7,11-15,17H2
InChIKeyMNGTUMGPFRHYSG-UHFFFAOYSA-N
MW471.99 g/mol
LogP3.40
Rot. Bonds7

About 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone

2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone (PubChem CID 58347770) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone
PubChem CID58347770
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC Name2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1nccnc1Cl)N1CCN(C(=O)c2ccnc(OCCC3CCCCC3)c2)CC1
InChIInChI=1S/C24H30ClN5O3/c25-23-20(26-9-10-28-23)17-22(31)29-11-13-30(14-12-29)24(32)19-6-8-27-21(16-19)33-15-7-18-4-2-1-3-5-18/h6,8-10,16,18H,1-5,7,11-15,17H2
InChIKeyMNGTUMGPFRHYSG-UHFFFAOYSA-N
XLogP3.40
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347996
3-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]pyrazine-2-carboxylic acid
CID 58347948
2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-phenylpropoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone
CID 58347789
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-pyridin-2-ylethanone
CID 58347743
2-(2-cyclobutylethoxy)pyridine-4-carbothioamide
CID 106201698
1-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-(5-hydroxy-3-pyridinyl)ethanone
CID 58347663
3-[4-[2-[4-[3-(2-cyclohexylethoxy)benzoyl]piperazin-1-yl]-2-oxoethyl]phenyl]propanoic acid
CID 58347545
tert-butyl 4-[2-(3-chloropyrazin-2-yl)acetyl]piperazine-1-carboxylate
CID 58347920
1-(2-cyclohexyloxypyridine-4-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 120528150
3-cyclopentyl-1-[4-(6-methoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134021042
4-[[2-(2-cyclohexylethoxy)-4-pyridinyl]oxy]-N-pyrazin-2-ylpiperazine-1-carboxamide
CID 67311800
[4-(2-cyclohexylethoxy)-2-pyridinyl]-piperazin-1-ylmethanone
CID 58347497

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone (CID 58347770) is 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone is O=C(Cc1nccnc1Cl)N1CCN(C(=O)c2ccnc(OCCC3CCCCC3)c2)CC1.
What is the InChIKey of 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is MNGTUMGPFRHYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c25-23-20(26-9-10-28-23)17-22(31)29-11-13-30(14-12-29)24(32)19-6-8-27-21(16-19)33-15-7-18-4-2-1-3-5-18/h6,8-10,16,18H,1-5,7,11-15,17H2.
What are the key properties of 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone?
2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 471.99 g/mol, XLogP of 3.40, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropyrazin-2-yl)-1-[4-[2-(2-cyclohexylethoxy)pyridine-4-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 58347770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).