1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione

C24H23ClN4O2 — CID 108730014

IUPAC1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN4O2/c25-20-8-6-19(7-9-20)22(30)11-13-24(31)29-16-14-28(15-17-29)23-12-10-21(26-27-23)18-4-2-1-3-5-18/h1-10,12H,11,13-17H2
InChIKeyHQYDJVURSBBQNF-UHFFFAOYSA-N
MW434.93 g/mol
LogP4.11
Rot. Bonds6

About 1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione

1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione (PubChem CID 108730014) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione
PubChem CID108730014
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione
SMILESO=C(CCC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C24H23ClN4O2/c25-20-8-6-19(7-9-20)22(30)11-13-24(31)29-16-14-28(15-17-29)23-12-10-21(26-27-23)18-4-2-1-3-5-18/h1-10,12H,11,13-17H2
InChIKeyHQYDJVURSBBQNF-UHFFFAOYSA-N
XLogP4.11
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.93
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121059755
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121060031
4-chloro-N-[(2S)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]benzamide
CID 93156386
N-benzyl-4-chloro-N-[2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]benzamide
CID 42832331
1-(4-chlorophenyl)-4-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]butane-1,4-dione
CID 110417422
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640
2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058240
2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 108753633
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
1-(4-chlorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butane-1,4-dione
CID 9335597
2,4-dichloro-N-(cyclopropylmethyl)-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 83278599
N-butan-2-yl-2,4-dichloro-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 83273253

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione (CID 108730014) is 1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione is O=C(CCC(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione?
The InChIKey is HQYDJVURSBBQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c25-20-8-6-19(7-9-20)22(30)11-13-24(31)29-16-14-28(15-17-29)23-12-10-21(26-27-23)18-4-2-1-3-5-18/h1-10,12H,11,13-17H2.
What are the key properties of 1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione?
1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione has a molecular weight of 434.93 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione is sourced from PubChem (CID 108730014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).