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

C28H32ClN5O — CID 44586743

IUPAC2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccc3ccccc32)nn1CCCCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C28H32ClN5O/c29-24-10-4-6-12-26(24)32-21-19-31(20-22-32)16-7-1-2-8-17-34-28(35)14-13-27(30-34)33-18-15-23-9-3-5-11-25(23)33/h3-6,9-15,18H,1-2,7-8,16-17,19-22H2
InChIKeyCISIZNQAICWCSU-UHFFFAOYSA-N
MW490.05 g/mol
LogP5.22
Rot. Bonds9

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

2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one (PubChem CID 44586743) has the molecular formula C28H32ClN5O and a molecular weight of 490.05 g/mol. Its IUPAC name is 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one
PubChem CID44586743
Molecular FormulaC28H32ClN5O
Molecular Weight490.05 g/mol
Exact Mass489.23
IUPAC Name2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccc3ccccc32)nn1CCCCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C28H32ClN5O/c29-24-10-4-6-12-26(24)32-21-19-31(20-22-32)16-7-1-2-8-17-34-28(35)14-13-27(30-34)33-18-15-23-9-3-5-11-25(23)33/h3-6,9-15,18H,1-2,7-8,16-17,19-22H2
InChIKeyCISIZNQAICWCSU-UHFFFAOYSA-N
XLogP5.22
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.05
LogP ≤ 55.22
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-[4-[4-(2-Chlorophenyl)piperazin-1-yl]butyl]-6-indol-1-ylpyridazin-3-one
CID 44586689
2-[5-[4-(2-Chlorophenyl)piperazin-1-yl]pentyl]-6-indol-1-ylpyridazin-3-one
CID 44586742
6-(1H-indol-1-yl)-2-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)pyridazin-3(2H)-one
CID 44579538
(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
2-(4-Chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 162645927
2-(3-Chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 162656210
2-(2-Chlorophenyl)-6-indol-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 162664501
1-(4-(2-chlorophenyl)piperazin-1-yl)-2-(1H-indol-1-yl)ethanone
CID 45505289

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one?
The IUPAC name of 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one (CID 44586743) is 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one is O=c1ccc(-n2ccc3ccccc32)nn1CCCCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one?
The InChIKey is CISIZNQAICWCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN5O/c29-24-10-4-6-12-26(24)32-21-19-31(20-22-32)16-7-1-2-8-17-34-28(35)14-13-27(30-34)33-18-15-23-9-3-5-11-25(23)33/h3-6,9-15,18H,1-2,7-8,16-17,19-22H2.
What are the key properties of 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one?
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one has a molecular weight of 490.05 g/mol, XLogP of 5.22, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one is sourced from PubChem (CID 44586743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).