4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one

C24H28N4O2 — CID 56692910

IUPAC4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc(CC(=O)N2CCN(c3ccc(C4=NNC(=O)CC4C)cc3)CC2)cc1
InChIInChI=1S/C24H28N4O2/c1-17-3-5-19(6-4-17)16-23(30)28-13-11-27(12-14-28)21-9-7-20(8-10-21)24-18(2)15-22(29)25-26-24/h3-10,18H,11-16H2,1-2H3,(H,25,29)
InChIKeyVEDVHINGRGWQML-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.75
Rot. Bonds4

About 4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one

4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 56692910) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID56692910
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESCc1ccc(CC(=O)N2CCN(c3ccc(C4=NNC(=O)CC4C)cc3)CC2)cc1
InChIInChI=1S/C24H28N4O2/c1-17-3-5-19(6-4-17)16-23(30)28-13-11-27(12-14-28)21-9-7-20(8-10-21)24-18(2)15-22(29)25-26-24/h3-10,18H,11-16H2,1-2H3,(H,25,29)
InChIKeyVEDVHINGRGWQML-UHFFFAOYSA-N
XLogP2.75
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 56692910) is 4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one is Cc1ccc(CC(=O)N2CCN(c3ccc(C4=NNC(=O)CC4C)cc3)CC2)cc1.
What is the InChIKey of 4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is VEDVHINGRGWQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-3-5-19(6-4-17)16-23(30)28-13-11-27(12-14-28)21-9-7-20(8-10-21)24-18(2)15-22(29)25-26-24/h3-10,18H,11-16H2,1-2H3,(H,25,29).
What are the key properties of 4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one?
4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 404.51 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]phenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 56692910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).