1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

C17H20N8O — CID 122338339

IUPAC1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1)n1cccn1
InChIInChI=1S/C17H20N8O/c1-14(25-5-2-3-21-25)17(26)23-9-7-22(8-10-23)15-11-16(20-12-19-15)24-6-4-18-13-24/h2-6,11-14H,7-10H2,1H3
InChIKeyMLGFQMIOWOHZOH-UHFFFAOYSA-N
MW352.40 g/mol
LogP0.77
Rot. Bonds4

About 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one

1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (PubChem CID 122338339) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
PubChem CID122338339
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC Name1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1)n1cccn1
InChIInChI=1S/C17H20N8O/c1-14(25-5-2-3-21-25)17(26)23-9-7-22(8-10-23)15-11-16(20-12-19-15)24-6-4-18-13-24/h2-6,11-14H,7-10H2,1H3
InChIKeyMLGFQMIOWOHZOH-UHFFFAOYSA-N
XLogP0.77
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-methylpropan-1-one
CID 56700366
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 121073739
1-[4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]ethanone
CID 122338349
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 70702690
(3,4-dimethylphenyl)-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699139
1-(4-acetylpiperazin-1-yl)-2-pyrazol-1-ylpropan-1-one
CID 51076824
1-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 51077127
furan-3-yl-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338270
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(3-iodophenyl)methanone
CID 121073744
N-[2-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 122338267
1-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one
CID 122336193
[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90520235

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one (CID 122338339) is 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is CC(C(=O)N1CCN(c2cc(-n3ccnc3)ncn2)CC1)n1cccn1.
What is the InChIKey of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
The InChIKey is MLGFQMIOWOHZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-14(25-5-2-3-21-25)17(26)23-9-7-22(8-10-23)15-11-16(20-12-19-15)24-6-4-18-13-24/h2-6,11-14H,7-10H2,1H3.
What are the key properties of 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one?
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one has a molecular weight of 352.40 g/mol, XLogP of 0.77, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 122338339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).