6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one

C25H30N4O2 — CID 3639597

IUPAC6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(N2N=C(C(=O)N3CCN(Cc4ccc(C)cc4C)CC3)CCC2=O)cc1
InChIInChI=1S/C25H30N4O2/c1-18-5-8-22(9-6-18)29-24(30)11-10-23(26-29)25(31)28-14-12-27(13-15-28)17-21-7-4-19(2)16-20(21)3/h4-9,16H,10-15,17H2,1-3H3
InChIKeyACHXHRVMPBRKMG-UHFFFAOYSA-N
MW418.54 g/mol
LogP3.44
Rot. Bonds4

About 6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one

6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one (PubChem CID 3639597) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
PubChem CID3639597
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(N2N=C(C(=O)N3CCN(Cc4ccc(C)cc4C)CC3)CCC2=O)cc1
InChIInChI=1S/C25H30N4O2/c1-18-5-8-22(9-6-18)29-24(30)11-10-23(26-29)25(31)28-14-12-27(13-15-28)17-21-7-4-19(2)16-20(21)3/h4-9,16H,10-15,17H2,1-3H3
InChIKeyACHXHRVMPBRKMG-UHFFFAOYSA-N
XLogP3.44
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3978494
6-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3662289
2-(2,5-dimethylphenyl)-6-[4-(2-methylpropanoyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 46601357
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 944260
2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 3931520
2-(4-chlorophenyl)-6-[4-(4-chlorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4672455
2-(4-chlorophenyl)-6-(pyrrolidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 941442
6-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-2-(2-methylphenyl)-4,5-dihydropyridazin-3-one
CID 5135424
6-[4-(4,6-dimethylpyrimidin-2-yl)piperazine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3292486
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 945249
2-(2,5-dimethylphenyl)-6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 4883772
1-[1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbonyl]piperidine-4-carboxamide
CID 51159238

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one (CID 3639597) is 6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one is Cc1ccc(N2N=C(C(=O)N3CCN(Cc4ccc(C)cc4C)CC3)CCC2=O)cc1.
What is the InChIKey of 6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one?
The InChIKey is ACHXHRVMPBRKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-18-5-8-22(9-6-18)29-24(30)11-10-23(26-29)25(31)28-14-12-27(13-15-28)17-21-7-4-19(2)16-20(21)3/h4-9,16H,10-15,17H2,1-3H3.
What are the key properties of 6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one?
6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one has a molecular weight of 418.54 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,4-dimethylphenyl)methyl]piperazine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 3639597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).