2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one

C26H28ClN5O — CID 44586689

IUPAC2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C26H28ClN5O/c27-22-8-2-4-10-24(22)30-19-17-29(18-20-30)14-5-6-15-32-26(33)12-11-25(28-32)31-16-13-21-7-1-3-9-23(21)31/h1-4,7-13,16H,5-6,14-15,17-20H2
InChIKeyZANLGXZGAMMUEY-UHFFFAOYSA-N
MW462.00 g/mol
LogP4.44
Rot. Bonds7

About 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one

2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one (PubChem CID 44586689) has the molecular formula C26H28ClN5O and a molecular weight of 462.00 g/mol. Its IUPAC name is 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one
PubChem CID44586689
Molecular FormulaC26H28ClN5O
Molecular Weight462.00 g/mol
Exact Mass461.20
IUPAC Name2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C26H28ClN5O/c27-22-8-2-4-10-24(22)30-19-17-29(18-20-30)14-5-6-15-32-26(33)12-11-25(28-32)31-16-13-21-7-1-3-9-23(21)31/h1-4,7-13,16H,5-6,14-15,17-20H2
InChIKeyZANLGXZGAMMUEY-UHFFFAOYSA-N
XLogP4.44
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.00
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[7-[4-(2-Chlorophenyl)piperazin-1-yl]heptyl]-6-indol-1-ylpyridazin-3-one
CID 44586083
2-[2-[4-(2-Chlorophenyl)piperazin-1-yl]ethyl]-6-indol-1-ylpyridazin-3-one
CID 44586652
2-[3-[4-(2-Chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one
CID 44586688
2-[5-[4-(2-Chlorophenyl)piperazin-1-yl]pentyl]-6-indol-1-ylpyridazin-3-one
CID 44586742
2-[6-[4-(2-Chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one
CID 44586743
6-(1H-indol-1-yl)-2-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)pyridazin-3(2H)-one
CID 44579538
(E)-1-(5-chloroindol-1-yl)-3-phenylprop-2-en-1-one
CID 56683807
(6-Chloro-3-pyridinyl)-[3-(1-methylindol-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 145986066
(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(1-prop-2-enylindol-3-yl)methylidene]pyrazol-3-one
CID 49844093
(4Z)-4-[(1-benzylindol-3-yl)methylidene]-2-(3-chlorophenyl)-5-methylpyrazol-3-one
CID 49844239
6-[(4-Chlorophenyl)methyl]-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-6-ium-2-one chloride
CID 127042230
2-(4-Chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 162645927

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one?
The IUPAC name of 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one (CID 44586689) is 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one is O=c1ccc(-n2ccc3ccccc32)nn1CCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one?
The InChIKey is ZANLGXZGAMMUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O/c27-22-8-2-4-10-24(22)30-19-17-29(18-20-30)14-5-6-15-32-26(33)12-11-25(28-32)31-16-13-21-7-1-3-9-23(21)31/h1-4,7-13,16H,5-6,14-15,17-20H2.
What are the key properties of 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one?
2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one has a molecular weight of 462.00 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one is sourced from PubChem (CID 44586689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).