6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one

C28H33N5O2 — CID 10928816

IUPAC6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C28H33N5O2/c1-35-26-12-6-5-11-25(26)31-21-19-30(20-22-31)16-7-2-8-17-33-28(34)14-13-27(29-33)32-18-15-23-9-3-4-10-24(23)32/h3-6,9-15,18H,2,7-8,16-17,19-22H2,1H3
InChIKeyNANUCLLOMVGATP-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.19
Rot. Bonds9

About 6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one

6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one (PubChem CID 10928816) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one.

Molecular Properties

Compound Name6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one
PubChem CID10928816
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC Name6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C28H33N5O2/c1-35-26-12-6-5-11-25(26)31-21-19-30(20-22-31)16-7-2-8-17-33-28(34)14-13-27(29-33)32-18-15-23-9-3-4-10-24(23)32/h3-6,9-15,18H,2,7-8,16-17,19-22H2,1H3
InChIKeyNANUCLLOMVGATP-UHFFFAOYSA-N
XLogP4.19
TPSA55.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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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-(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-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one?
The IUPAC name of 6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one (CID 10928816) is 6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one.
What is the SMILES notation for 6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one?
The canonical SMILES for 6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one is COc1ccccc1N1CCN(CCCCCn2nc(-n3ccc4ccccc43)ccc2=O)CC1.
What is the InChIKey of 6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one?
The InChIKey is NANUCLLOMVGATP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-35-26-12-6-5-11-25(26)31-21-19-30(20-22-31)16-7-2-8-17-33-28(34)14-13-27(29-33)32-18-15-23-9-3-4-10-24(23)32/h3-6,9-15,18H,2,7-8,16-17,19-22H2,1H3.
What are the key properties of 6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one?
6-indol-1-yl-2-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one has a molecular weight of 471.61 g/mol, XLogP of 4.19, 9 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-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]pyridazin-3-one is sourced from PubChem (CID 10928816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).