6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one

C30H37N5O2 — CID 10874749

IUPAC6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C30H37N5O2/c1-37-28-14-8-7-13-27(28)33-23-21-32(22-24-33)18-9-3-2-4-10-19-35-30(36)16-15-29(31-35)34-20-17-25-11-5-6-12-26(25)34/h5-8,11-17,20H,2-4,9-10,18-19,21-24H2,1H3
InChIKeyZSSARMSAPANZJN-UHFFFAOYSA-N
MW499.66 g/mol
LogP4.97
Rot. Bonds11

About 6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one

6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one (PubChem CID 10874749) has the molecular formula C30H37N5O2 and a molecular weight of 499.66 g/mol. Its IUPAC name is 6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one.

Molecular Properties

Compound Name6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one
PubChem CID10874749
Molecular FormulaC30H37N5O2
Molecular Weight499.66 g/mol
Exact Mass499.29
IUPAC Name6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C30H37N5O2/c1-37-28-14-8-7-13-27(28)33-23-21-32(22-24-33)18-9-3-2-4-10-19-35-30(36)16-15-29(31-35)34-20-17-25-11-5-6-12-26(25)34/h5-8,11-17,20H,2-4,9-10,18-19,21-24H2,1H3
InChIKeyZSSARMSAPANZJN-UHFFFAOYSA-N
XLogP4.97
TPSA55.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.66
LogP ≤ 54.97
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-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]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-(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-indol-1-yl)-2-(6-(4-(2-methoxyphenyl)piperazin-1-yl)hexyl)pyridazin-3(2H)-one
CID 11730613
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-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one?
The IUPAC name of 6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one (CID 10874749) is 6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one.
What is the SMILES notation for 6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one?
The canonical SMILES for 6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one is COc1ccccc1N1CCN(CCCCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1.
What is the InChIKey of 6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one?
The InChIKey is ZSSARMSAPANZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O2/c1-37-28-14-8-7-13-27(28)33-23-21-32(22-24-33)18-9-3-2-4-10-19-35-30(36)16-15-29(31-35)34-20-17-25-11-5-6-12-26(25)34/h5-8,11-17,20H,2-4,9-10,18-19,21-24H2,1H3.
What are the key properties of 6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one?
6-indol-1-yl-2-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one has a molecular weight of 499.66 g/mol, XLogP of 4.97, 11 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-[7-[4-(2-methoxyphenyl)piperazin-1-yl]heptyl]pyridazin-3-one is sourced from PubChem (CID 10874749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).