6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one

C29H35N5O2 — CID 11730613

IUPAC6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C29H35N5O2/c1-36-27-13-7-6-12-26(27)32-22-20-31(21-23-32)17-8-2-3-9-18-34-29(35)15-14-28(30-34)33-19-16-24-10-4-5-11-25(24)33/h4-7,10-16,19H,2-3,8-9,17-18,20-23H2,1H3
InChIKeyXWGALKWUNRLJBC-UHFFFAOYSA-N
MW485.63 g/mol
LogP4.58
Rot. Bonds10

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

6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one (PubChem CID 11730613) has the molecular formula C29H35N5O2 and a molecular weight of 485.63 g/mol. Its IUPAC name is 6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one
PubChem CID11730613
Molecular FormulaC29H35N5O2
Molecular Weight485.63 g/mol
Exact Mass485.28
IUPAC Name6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C29H35N5O2/c1-36-27-13-7-6-12-26(27)32-22-20-31(21-23-32)17-8-2-3-9-18-34-29(35)15-14-28(30-34)33-19-16-24-10-4-5-11-25(24)33/h4-7,10-16,19H,2-3,8-9,17-18,20-23H2,1H3
InChIKeyXWGALKWUNRLJBC-UHFFFAOYSA-N
XLogP4.58
TPSA55.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]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

2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 11732785
6-(1H-indol-1-yl)-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridazin-3(2H)-one
CID 10072826
6-(1H-benzo[d]imidazol-1-yl)-2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)pyridazin-3(2H)-one
CID 10456862
6-(1H-indol-1-yl)-2-(7-(4-(2-methoxyphenyl)piperazin-1-yl)heptyl)pyridazin-3(2H)-one
CID 10874749
6-(1H-indol-1-yl)-2-(5-(4-(2-methoxyphenyl)piperazin-1-yl)pentyl)pyridazin-3(2H)-one
CID 10928816
6-(Benzimidazol-1-yl)-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one
CID 10962155
6-(1H-benzo[d]imidazol-1-yl)-2-(5-(4-(2-methoxyphenyl)piperazin-1-yl)pentyl)pyridazin-3(2H)-one
CID 11016188
6-(1H-indol-1-yl)-2-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)pyridazin-3(2H)-one
CID 11091275
6-(1H-indol-1-yl)-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)pyridazin-3(2H)-one
CID 11091509
6-(1H-benzo[d]imidazol-1-yl)-2-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)pyridazin-3(2H)-one
CID 11732738
6-(1H-benzo[d]imidazol-1-yl)-2-(6-(4-(2-methoxyphenyl)piperazin-1-yl)hexyl)pyridazin-3(2H)-one
CID 11733636
1-(1-Acetylindol-6-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 5307983

Frequently Asked Questions

What is the IUPAC name of 6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one?
The IUPAC name of 6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one (CID 11730613) is 6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one.
What is the SMILES notation for 6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one?
The canonical SMILES for 6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one is COc1ccccc1N1CCN(CCCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1.
What is the InChIKey of 6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one?
The InChIKey is XWGALKWUNRLJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O2/c1-36-27-13-7-6-12-26(27)32-22-20-31(21-23-32)17-8-2-3-9-18-34-29(35)15-14-28(30-34)33-19-16-24-10-4-5-11-25(24)33/h4-7,10-16,19H,2-3,8-9,17-18,20-23H2,1H3.
What are the key properties of 6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one?
6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one has a molecular weight of 485.63 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-indol-1-yl-2-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]pyridazin-3-one is sourced from PubChem (CID 11730613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).