1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione

C26H28N4O3 — CID 121059755

IUPAC1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
SMILESCCOc1ccc(-c2ccc(N3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C26H28N4O3/c1-2-33-22-10-8-20(9-11-22)23-12-14-25(28-27-23)29-16-18-30(19-17-29)26(32)15-13-24(31)21-6-4-3-5-7-21/h3-12,14H,2,13,15-19H2,1H3
InChIKeyJZDPGJPEFQQZFJ-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.85
Rot. Bonds8

About 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione

1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione (PubChem CID 121059755) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione.

Molecular Properties

Compound Name1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
PubChem CID121059755
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
SMILESCCOc1ccc(-c2ccc(N3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nn2)cc1
InChIInChI=1S/C26H28N4O3/c1-2-33-22-10-8-20(9-11-22)23-12-14-25(28-27-23)29-16-18-30(19-17-29)26(32)15-13-24(31)21-6-4-3-5-7-21/h3-12,14H,2,13,15-19H2,1H3
InChIKeyJZDPGJPEFQQZFJ-UHFFFAOYSA-N
XLogP3.85
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione with MolForge

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Related Compounds

1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione
CID 108730014
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121060031
(4-ethoxyphenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 42110666
[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-(2-phenyl-1,3-thiazol-4-yl)methanone
CID 121059808
3-[2-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121059791
3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine
CID 52903948
1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78777689
1-adamantyl-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121059845
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121106918
[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108753628
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 121106819
(2-chloro-4-fluorophenyl)-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121059786

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione?
The IUPAC name of 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione (CID 121059755) is 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione.
What is the SMILES notation for 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione?
The canonical SMILES for 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione is CCOc1ccc(-c2ccc(N3CCN(C(=O)CCC(=O)c4ccccc4)CC3)nn2)cc1.
What is the InChIKey of 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione?
The InChIKey is JZDPGJPEFQQZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-2-33-22-10-8-20(9-11-22)23-12-14-25(28-27-23)29-16-18-30(19-17-29)26(32)15-13-24(31)21-6-4-3-5-7-21/h3-12,14H,2,13,15-19H2,1H3.
What are the key properties of 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione?
1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione has a molecular weight of 444.54 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione is sourced from PubChem (CID 121059755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).