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

C25H27N5O2 — CID 11091275

IUPAC6-indol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C25H27N5O2/c1-32-23-9-5-4-8-22(23)28-17-14-27(15-18-28)16-19-30-25(31)11-10-24(26-30)29-13-12-20-6-2-3-7-21(20)29/h2-13H,14-19H2,1H3
InChIKeyYTGBYMAEWNVMKV-UHFFFAOYSA-N
MW429.52 g/mol
LogP3.02
Rot. Bonds6

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

6-indol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 11091275) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is 6-indol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-indol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID11091275
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name6-indol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCn2nc(-n3ccc4ccccc43)ccc2=O)CC1
InChIInChI=1S/C25H27N5O2/c1-32-23-9-5-4-8-22(23)28-17-14-27(15-18-28)16-19-30-25(31)11-10-24(26-30)29-13-12-20-6-2-3-7-21(20)29/h2-13H,14-19H2,1H3
InChIKeyYTGBYMAEWNVMKV-UHFFFAOYSA-N
XLogP3.02
TPSA55.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-benzo[d]imidazol-1-yl)-2-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)pyridazin-3(2H)-one
CID 11048520
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-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-indol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 11091275) is 6-indol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-indol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-indol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one is COc1ccccc1N1CCN(CCn2nc(-n3ccc4ccccc43)ccc2=O)CC1.
What is the InChIKey of 6-indol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is YTGBYMAEWNVMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-32-23-9-5-4-8-22(23)28-17-14-27(15-18-28)16-19-30-25(31)11-10-24(26-30)29-13-12-20-6-2-3-7-21(20)29/h2-13H,14-19H2,1H3.
What are the key properties of 6-indol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one?
6-indol-1-yl-2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 429.52 g/mol, XLogP of 3.02, 6 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-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 11091275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).