6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one

C25H30N4O3 — CID 4118469

IUPAC6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one
SMILESCOc1ccc(C2=CCC(=O)N(CC(=O)N3CCN(c4cccc(C)c4)C(C)C3)N2)cc1
InChIInChI=1S/C25H30N4O3/c1-18-5-4-6-21(15-18)28-14-13-27(16-19(28)2)25(31)17-29-24(30)12-11-23(26-29)20-7-9-22(32-3)10-8-20/h4-11,15,19,26H,12-14,16-17H2,1-3H3
InChIKeyNZHMUPSAODZYIS-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.82
Rot. Bonds5

About 6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one

6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one (PubChem CID 4118469) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one
PubChem CID4118469
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one
SMILESCOc1ccc(C2=CCC(=O)N(CC(=O)N3CCN(c4cccc(C)c4)C(C)C3)N2)cc1
InChIInChI=1S/C25H30N4O3/c1-18-5-4-6-21(15-18)28-14-13-27(16-19(28)2)25(31)17-29-24(30)12-11-23(26-29)20-7-9-22(32-3)10-8-20/h4-11,15,19,26H,12-14,16-17H2,1-3H3
InChIKeyNZHMUPSAODZYIS-UHFFFAOYSA-N
XLogP2.82
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one
CID 4074598
2-(3-methoxyphenyl)-1-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481309
2-(3-methoxyphenyl)-1-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481312
(3-methoxyphenyl)-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2465576
6-[(3S)-3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]-2-phenyl-1,4-dihydropyridazin-3-one
CID 2010571
(1R,2R,6S,7R)-4-[2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98228796
2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
CID 5060365
1-ethyl-4-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxaline-2,3-dione
CID 92752267
1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-3-[(2-methylphenyl)methyl]imidazolidin-2-one
CID 20851364
3-methyl-1-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]quinoxalin-2-one
CID 46295476
5-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-5-oxopentanoic acid
CID 134069407
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-4-[2-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 98610647

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one?
The IUPAC name of 6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one (CID 4118469) is 6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one?
The canonical SMILES for 6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one is COc1ccc(C2=CCC(=O)N(CC(=O)N3CCN(c4cccc(C)c4)C(C)C3)N2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one?
The InChIKey is NZHMUPSAODZYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18-5-4-6-21(15-18)28-14-13-27(16-19(28)2)25(31)17-29-24(30)12-11-23(26-29)20-7-9-22(32-3)10-8-20/h4-11,15,19,26H,12-14,16-17H2,1-3H3.
What are the key properties of 6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one?
6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one has a molecular weight of 434.54 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 4118469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).