3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

C24H23F2N3O2 — CID 23647048

IUPAC3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1cc(F)c(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1F
InChIInChI=1S/C24H23F2N3O2/c1-14-10-23(31)28-29-24(14)16-12-19(26)21(13-18(16)25)27-20-8-5-9-22(30)17(20)11-15-6-3-2-4-7-15/h2-4,6-7,12-14,27H,5,8-11H2,1H3,(H,28,31)
InChIKeyMAJJZDBTIUDMIM-UHFFFAOYSA-N
MW423.46 g/mol
LogP4.49
Rot. Bonds5

About 3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one

3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 23647048) has the molecular formula C24H23F2N3O2 and a molecular weight of 423.46 g/mol. Its IUPAC name is 3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID23647048
Molecular FormulaC24H23F2N3O2
Molecular Weight423.46 g/mol
Exact Mass423.18
IUPAC Name3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC(=O)NN=C1c1cc(F)c(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1F
InChIInChI=1S/C24H23F2N3O2/c1-14-10-23(31)28-29-24(14)16-12-19(26)21(13-18(16)25)27-20-8-5-9-22(30)17(20)11-15-6-3-2-4-7-15/h2-4,6-7,12-14,27H,5,8-11H2,1H3,(H,28,31)
InChIKeyMAJJZDBTIUDMIM-UHFFFAOYSA-N
XLogP4.49
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 23647048) is 3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC(=O)NN=C1c1cc(F)c(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1F.
What is the InChIKey of 3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is MAJJZDBTIUDMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N3O2/c1-14-10-23(31)28-29-24(14)16-12-19(26)21(13-18(16)25)27-20-8-5-9-22(30)17(20)11-15-6-3-2-4-7-15/h2-4,6-7,12-14,27H,5,8-11H2,1H3,(H,28,31).
What are the key properties of 3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one?
3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 423.46 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-benzyl-3-oxocyclohexen-1-yl)amino]-2,5-difluorophenyl]-4-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 23647048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).