6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one

C25H28N4O5 — CID 53081684

IUPAC6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-n2nc(N3CCN(C(=O)Cc4ccc(OC)c(OC)c4)CC3)ccc2=O)cc1
InChIInChI=1S/C25H28N4O5/c1-32-20-7-5-19(6-8-20)29-24(30)11-10-23(26-29)27-12-14-28(15-13-27)25(31)17-18-4-9-21(33-2)22(16-18)34-3/h4-11,16H,12-15,17H2,1-3H3
InChIKeyXTOURGJOBIMOIH-UHFFFAOYSA-N
MW464.52 g/mol
LogP2.15
Rot. Bonds7

About 6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one

6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 53081684) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is 6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
PubChem CID53081684
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-n2nc(N3CCN(C(=O)Cc4ccc(OC)c(OC)c4)CC3)ccc2=O)cc1
InChIInChI=1S/C25H28N4O5/c1-32-20-7-5-19(6-8-20)29-24(30)11-10-23(26-29)27-12-14-28(15-13-27)25(31)17-18-4-9-21(33-2)22(16-18)34-3/h4-11,16H,12-15,17H2,1-3H3
InChIKeyXTOURGJOBIMOIH-UHFFFAOYSA-N
XLogP2.15
TPSA86.13 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

6-[4-[2-(3-chloro-4-methoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081452
2-(3-chlorophenyl)-6-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]pyridazin-3-one
CID 53081791
1-[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 42110691
2-(3,4-dimethoxyphenyl)-1-(4-quinolin-2-ylpiperazin-1-yl)ethanone
CID 108741549
N-(3,4-dimethoxyphenyl)-4-[1-(4-methylphenyl)-6-oxopyridazin-3-yl]piperazine-1-carboxamide
CID 46335226
2-(3,4-dimethoxyphenyl)-1-(4-quinoxalin-2-ylpiperazin-1-yl)ethanone
CID 108741397
2-(3,4-dimethoxyphenyl)-1-[4-[6-(2-methoxyethoxy)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 30773941
6-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(4-methylphenyl)pyridazin-3-one
CID 53081939
2-(4-methylphenyl)-6-[4-(2-phenylacetyl)-1,4-diazepan-1-yl]pyridazin-3-one
CID 53081466
6-[4-(2-bromobenzoyl)piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one
CID 53081681
6-[4-(3,4-dimethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylpyridazin-3-one
CID 53081376
5-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110416988

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one (CID 53081684) is 6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-n2nc(N3CCN(C(=O)Cc4ccc(OC)c(OC)c4)CC3)ccc2=O)cc1.
What is the InChIKey of 6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is XTOURGJOBIMOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-32-20-7-5-19(6-8-20)29-24(30)11-10-23(26-29)27-12-14-28(15-13-27)25(31)17-18-4-9-21(33-2)22(16-18)34-3/h4-11,16H,12-15,17H2,1-3H3.
What are the key properties of 6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one?
6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 464.52 g/mol, XLogP of 2.15, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 53081684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).