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

C24H28N4O3 — CID 11958374

IUPAC3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc(C4=NNC(=O)CC4C)cc3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-17-15-22(29)25-26-24(17)19-5-7-20(8-6-19)27-11-13-28(14-12-27)23(30)16-18-3-9-21(31-2)10-4-18/h3-10,17H,11-16H2,1-2H3,(H,25,29)
InChIKeyKIGLPDJVEPXAAN-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.45
Rot. Bonds5

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

3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 11958374) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID11958374
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCOc1ccc(CC(=O)N2CCN(c3ccc(C4=NNC(=O)CC4C)cc3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-17-15-22(29)25-26-24(17)19-5-7-20(8-6-19)27-11-13-28(14-12-27)23(30)16-18-3-9-21(31-2)10-4-18/h3-10,17H,11-16H2,1-2H3,(H,25,29)
InChIKeyKIGLPDJVEPXAAN-UHFFFAOYSA-N
XLogP2.45
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 11958374) is 3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is COc1ccc(CC(=O)N2CCN(c3ccc(C4=NNC(=O)CC4C)cc3)CC2)cc1.
What is the InChIKey of 3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is KIGLPDJVEPXAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-15-22(29)25-26-24(17)19-5-7-20(8-6-19)27-11-13-28(14-12-27)23(30)16-18-3-9-21(31-2)10-4-18/h3-10,17H,11-16H2,1-2H3,(H,25,29).
What are the key properties of 3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 420.51 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]phenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 11958374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).