2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

C17H24N6O — CID 72880468

IUPAC2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H24N6O/c1-13(2)16-20-6-7-23(16)14(3)17(24)22-10-8-21(9-11-22)15-12-18-4-5-19-15/h4-7,12-14H,8-11H2,1-3H3
InChIKeyUMFWAMZAYYYIMH-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.71
Rot. Bonds4

About 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 72880468) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID72880468
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC(C)c1nccn1C(C)C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H24N6O/c1-13(2)16-20-6-7-23(16)14(3)17(24)22-10-8-21(9-11-22)15-12-18-4-5-19-15/h4-7,12-14H,8-11H2,1-3H3
InChIKeyUMFWAMZAYYYIMH-UHFFFAOYSA-N
XLogP1.71
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(1-Methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 53559966
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53559979
1-(4-Ethylpiperazin-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53566133
2-[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 53570699
1-(3-Imidazol-1-ylpiperidin-1-yl)-2-[methyl(pyrazin-2-yl)amino]ethanone
CID 53599593
1-[4-[[3-Methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]piperidin-1-yl]ethanone
CID 56802163
1-(4-Pyrazin-2-ylpiperazin-1-yl)-2-(1,2,4-triazol-1-yl)propan-1-one
CID 71897680
2-[Cyclopropyl(methyl)amino]-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 72141972
1-[(1-isopropyl-4-piperidinyl)acetyl]-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 72880762
1-[2-(2-isopropyl-1H-imidazol-1-yl)propanoyl]-4-(methylsulfonyl)piperazine
CID 72907974
ethyl 4-[2-(2-isopropyl-1H-imidazol-1-yl)propanoyl]-1-piperazinecarboxylate
CID 72937047
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 75369808

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (CID 72880468) is 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is CC(C)c1nccn1C(C)C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is UMFWAMZAYYYIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13(2)16-20-6-7-23(16)14(3)17(24)22-10-8-21(9-11-22)15-12-18-4-5-19-15/h4-7,12-14H,8-11H2,1-3H3.
What are the key properties of 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylimidazol-1-yl)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 72880468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).