1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone

C20H29N5O2 — CID 86959616

IUPAC1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone
SMILESCCCn1c(C)cc(C(=O)CN2CCN(c3cncc(OC)n3)CC2)c1C
InChIInChI=1S/C20H29N5O2/c1-5-6-25-15(2)11-17(16(25)3)18(26)14-23-7-9-24(10-8-23)19-12-21-13-20(22-19)27-4/h11-13H,5-10,14H2,1-4H3
InChIKeyVOZIPBDBVAVMIZ-UHFFFAOYSA-N
MW371.49 g/mol
LogP2.32
Rot. Bonds7

About 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone

1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone (PubChem CID 86959616) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone
PubChem CID86959616
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone
SMILESCCCn1c(C)cc(C(=O)CN2CCN(c3cncc(OC)n3)CC2)c1C
InChIInChI=1S/C20H29N5O2/c1-5-6-25-15(2)11-17(16(25)3)18(26)14-23-7-9-24(10-8-23)19-12-21-13-20(22-19)27-4/h11-13H,5-10,14H2,1-4H3
InChIKeyVOZIPBDBVAVMIZ-UHFFFAOYSA-N
XLogP2.32
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(2S)-butan-2-yl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 95980361
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958860
methyl 3-[4-(6-ethoxypyrazin-2-yl)piperazin-1-yl]propanoate
CID 81422160
2-(1,1-dioxo-1,4-thiazinan-4-yl)-1-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 56527285
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 8688221
1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8596859
2-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]-6-methoxypyrazine
CID 86959684
2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 8871683
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 86959633
1-[2,5-dimethyl-1-(2-thiophen-2-ylethyl)pyrrol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 26551436
2-(4,4-dimethylpiperidin-1-yl)-1-(1-ethyl-2,5-dimethylpyrrol-3-yl)ethanone
CID 62923985
N-(1,2-diphenylethyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]acetamide
CID 86959598

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone (CID 86959616) is 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone is CCCn1c(C)cc(C(=O)CN2CCN(c3cncc(OC)n3)CC2)c1C.
What is the InChIKey of 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is VOZIPBDBVAVMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-5-6-25-15(2)11-17(16(25)3)18(26)14-23-7-9-24(10-8-23)19-12-21-13-20(22-19)27-4/h11-13H,5-10,14H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone?
1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 371.49 g/mol, XLogP of 2.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 86959616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).