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

C25H26ClN5O — CID 44586688

IUPAC2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccc3ccccc32)nn1CCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C25H26ClN5O/c26-21-7-2-4-9-23(21)29-18-16-28(17-19-29)13-5-14-31-25(32)11-10-24(27-31)30-15-12-20-6-1-3-8-22(20)30/h1-4,6-12,15H,5,13-14,16-19H2
InChIKeyUMAQCWHYWAXREE-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.05
Rot. Bonds6

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

2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one (PubChem CID 44586688) has the molecular formula C25H26ClN5O and a molecular weight of 447.97 g/mol. Its IUPAC name is 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one
PubChem CID44586688
Molecular FormulaC25H26ClN5O
Molecular Weight447.97 g/mol
Exact Mass447.18
IUPAC Name2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccc3ccccc32)nn1CCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C25H26ClN5O/c26-21-7-2-4-9-23(21)29-18-16-28(17-19-29)13-5-14-31-25(32)11-10-24(27-31)30-15-12-20-6-1-3-8-22(20)30/h1-4,6-12,15H,5,13-14,16-19H2
InChIKeyUMAQCWHYWAXREE-UHFFFAOYSA-N
XLogP4.05
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-[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
2-[6-[4-(2-Chlorophenyl)piperazin-1-yl]hexyl]-6-indol-1-ylpyridazin-3-one
CID 44586743
4-(5-chloropyridin-2-yl)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one
CID 25206134
6-(1H-indol-1-yl)-2-(4-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)butyl)pyridazin-3(2H)-one
CID 44579538
6-(1H-indol-1-yl)-2-(4-(4-(pyrimidin-2-yl)piperazin-1-yl)butyl)pyridazin-3(2H)-one
CID 44579595
(6-Chloro-3-pyridinyl)-[3-(1-methylindol-3-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 145986066
(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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one?
The IUPAC name of 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one (CID 44586688) is 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one is O=c1ccc(-n2ccc3ccccc32)nn1CCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one?
The InChIKey is UMAQCWHYWAXREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O/c26-21-7-2-4-9-23(21)29-18-16-28(17-19-29)13-5-14-31-25(32)11-10-24(27-31)30-15-12-20-6-1-3-8-22(20)30/h1-4,6-12,15H,5,13-14,16-19H2.
What are the key properties of 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one?
2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one has a molecular weight of 447.97 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-indol-1-ylpyridazin-3-one is sourced from PubChem (CID 44586688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).