1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone

C21H20N8O — CID 139357548

IUPAC1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(-c3cnc4cnc(-c5cccnc5)cn34)n2)CC1
InChIInChI=1S/C21H20N8O/c1-15(30)27-7-9-28(10-8-27)19-4-6-23-21(26-19)18-12-25-20-13-24-17(14-29(18)20)16-3-2-5-22-11-16/h2-6,11-14H,7-10H2,1H3
InChIKeyAFUFOWNRZJOPLM-UHFFFAOYSA-N
MW400.45 g/mol
LogP1.92
Rot. Bonds3

About 1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 139357548) has the molecular formula C21H20N8O and a molecular weight of 400.45 g/mol. Its IUPAC name is 1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID139357548
Molecular FormulaC21H20N8O
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(-c3cnc4cnc(-c5cccnc5)cn34)n2)CC1
InChIInChI=1S/C21H20N8O/c1-15(30)27-7-9-28(10-8-27)19-4-6-23-21(26-19)18-12-25-20-13-24-17(14-29(18)20)16-3-2-5-22-11-16/h2-6,11-14H,7-10H2,1H3
InChIKeyAFUFOWNRZJOPLM-UHFFFAOYSA-N
XLogP1.92
TPSA92.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[2-[6-(5-methyl-1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139359521
1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357653
1-[4-[6-[[4-(6-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]-3-pyridinyl]piperazin-1-yl]ethanone
CID 155573012
6-ethenyl-3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
CID 139358876
3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358816
1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone
CID 153330697
6-(4-methylpiperazin-1-yl)-2-pyridin-3-ylpyrimidine-4-carboxylic acid
CID 82170284
tert-butyl 4-[3-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]benzoyl]piperazine-1-carboxylate
CID 139358990
2-methyl-4-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 139029254
2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 139358652
1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol
CID 139358662
N-[1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide
CID 139358525

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 139357548) is 1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(-c5cccnc5)cn34)n2)CC1.
What is the InChIKey of 1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is AFUFOWNRZJOPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O/c1-15(30)27-7-9-28(10-8-27)19-4-6-23-21(26-19)18-12-25-20-13-24-17(14-29(18)20)16-3-2-5-22-11-16/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 400.45 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(6-pyridin-3-ylimidazo[1,2-a]pyrazin-3-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 139357548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).