2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one

C17H18N8O2 — CID 122337316

IUPAC2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C17H18N8O2/c26-16-3-1-4-21-25(16)12-17(27)23-9-7-22(8-10-23)14-11-15(19-13-18-14)24-6-2-5-20-24/h1-6,11,13H,7-10,12H2
InChIKeyBRKITTKSDNAVEU-UHFFFAOYSA-N
MW366.39 g/mol
LogP-0.43
Rot. Bonds4

About 2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one

2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 122337316) has the molecular formula C17H18N8O2 and a molecular weight of 366.39 g/mol. Its IUPAC name is 2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID122337316
Molecular FormulaC17H18N8O2
Molecular Weight366.39 g/mol
Exact Mass366.16
IUPAC Name2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESO=C(Cn1ncccc1=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1
InChIInChI=1S/C17H18N8O2/c26-16-3-1-4-21-25(16)12-17(27)23-9-7-22(8-10-23)14-11-15(19-13-18-14)24-6-2-5-20-24/h1-6,11,13H,7-10,12H2
InChIKeyBRKITTKSDNAVEU-UHFFFAOYSA-N
XLogP-0.43
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one with MolForge

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Related Compounds

2-(2-chlorophenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122337187
2-(3-methylphenyl)-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122337223
2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-6-pyrazol-1-ylpyridazin-3-one
CID 90517215
2-[2-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122338578
N-[2-(6-oxopyridazin-1-yl)ethyl]-1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168767
2-(4-methylpyrimidin-2-yl)oxy-1-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 121086865
(4-chlorophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700276
(4-bromophenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699707
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
1,2-oxazol-5-yl-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337194
2-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 122339823
1-[2-(6-oxopyridazin-1-yl)acetyl]piperidine-4-carboxylic acid
CID 55126730

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 122337316) is 2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one is O=C(Cn1ncccc1=O)N1CCN(c2cc(-n3cccn3)ncn2)CC1.
What is the InChIKey of 2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is BRKITTKSDNAVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N8O2/c26-16-3-1-4-21-25(16)12-17(27)23-9-7-22(8-10-23)14-11-15(19-13-18-14)24-6-2-5-20-24/h1-6,11,13H,7-10,12H2.
What are the key properties of 2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one?
2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 366.39 g/mol, XLogP of -0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 122337316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).