3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile

C23H28N6O — CID 133374204

IUPAC3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)c(C#N)c1CC
InChIInChI=1S/C23H28N6O/c1-3-18-19(15-24)23(26-25-20(18)4-2)28-13-11-27(12-14-28)16-22(30)29-10-9-17-7-5-6-8-21(17)29/h5-8H,3-4,9-14,16H2,1-2H3
InChIKeyJETQBKXPOCXFMC-UHFFFAOYSA-N
MW404.52 g/mol
LogP2.18
Rot. Bonds5

About 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile

3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile (PubChem CID 133374204) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
PubChem CID133374204
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)c(C#N)c1CC
InChIInChI=1S/C23H28N6O/c1-3-18-19(15-24)23(26-25-20(18)4-2)28-13-11-27(12-14-28)16-22(30)29-10-9-17-7-5-6-8-21(17)29/h5-8H,3-4,9-14,16H2,1-2H3
InChIKeyJETQBKXPOCXFMC-UHFFFAOYSA-N
XLogP2.18
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile with MolForge

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Related Compounds

3-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133360096
2-(4-cyanophenyl)-2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 86959094
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
6-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053084
1-(2,3-dihydroindol-1-yl)-2-[4-(ethylaminomethyl)piperidin-1-yl]ethanone
CID 119927826
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 2672568
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[4-[2-(6-nitro-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 86919321
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethanone
CID 8703661
1-(2,3-dihydroindol-1-yl)-2-[4-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethanone
CID 133317706

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile?
The IUPAC name of 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile (CID 133374204) is 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile.
What is the SMILES notation for 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile?
The canonical SMILES for 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile is CCc1nnc(N2CCN(CC(=O)N3CCc4ccccc43)CC2)c(C#N)c1CC.
What is the InChIKey of 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile?
The InChIKey is JETQBKXPOCXFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O/c1-3-18-19(15-24)23(26-25-20(18)4-2)28-13-11-27(12-14-28)16-22(30)29-10-9-17-7-5-6-8-21(17)29/h5-8H,3-4,9-14,16H2,1-2H3.
What are the key properties of 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile?
3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile has a molecular weight of 404.52 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile is sourced from PubChem (CID 133374204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).