6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one

C19H22N8O2 — CID 56724621

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)n1
InChIInChI=1S/C19H22N8O2/c1-14-12-15(2)27(22-14)16-4-5-17(28)26(23-16)13-18(29)24-8-10-25(11-9-24)19-20-6-3-7-21-19/h3-7,12H,8-11,13H2,1-2H3
InChIKeyLOOYMPOSFSCVFI-UHFFFAOYSA-N
MW394.44 g/mol
LogP0.18
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one (PubChem CID 56724621) has the molecular formula C19H22N8O2 and a molecular weight of 394.44 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
PubChem CID56724621
Molecular FormulaC19H22N8O2
Molecular Weight394.44 g/mol
Exact Mass394.19
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)n1
InChIInChI=1S/C19H22N8O2/c1-14-12-15(2)27(22-14)16-4-5-17(28)26(23-16)13-18(29)24-8-10-25(11-9-24)19-20-6-3-7-21-19/h3-7,12H,8-11,13H2,1-2H3
InChIKeyLOOYMPOSFSCVFI-UHFFFAOYSA-N
XLogP0.18
TPSA102.04 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.44
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one (CID 56724621) is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC(=O)N3CCN(c4ncccn4)CC3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
The InChIKey is LOOYMPOSFSCVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2/c1-14-12-15(2)27(22-14)16-4-5-17(28)26(23-16)13-18(29)24-8-10-25(11-9-24)19-20-6-3-7-21-19/h3-7,12H,8-11,13H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one has a molecular weight of 394.44 g/mol, XLogP of 0.18, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 56724621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).