5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile

C21H24FN5O — CID 133359835

IUPAC5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c(C#N)c1CC
InChIInChI=1S/C21H24FN5O/c1-4-16-17(13-23)20(25-24-19(16)5-2)26-8-10-27(11-9-26)21(28)15-7-6-14(3)18(22)12-15/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyALANSVACKKWPNQ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.88
Rot. Bonds4

About 5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile

5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile (PubChem CID 133359835) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile
PubChem CID133359835
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c(C#N)c1CC
InChIInChI=1S/C21H24FN5O/c1-4-16-17(13-23)20(25-24-19(16)5-2)26-8-10-27(11-9-26)21(28)15-7-6-14(3)18(22)12-15/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyALANSVACKKWPNQ-UHFFFAOYSA-N
XLogP2.88
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-diethyl-3-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]pyridazine-4-carbonitrile
CID 133373555
3-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133360096
5,6-diethyl-3-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133373943
3-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-5,6-diethylpyridazine-4-carbonitrile
CID 133360239
2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 47280720
2-chloro-4-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]benzonitrile
CID 133297719
1-ethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837441
[4-(3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 53202612
[4-(5-bromo-3-methyl-2-pyridinyl)piperazin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 133359775
3-chloro-2-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]benzonitrile
CID 133319220
1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 133360980
(3-fluoro-4-methylphenyl)-[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]methanone
CID 133371548

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile (CID 133359835) is 5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile is CCc1nnc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is ALANSVACKKWPNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-4-16-17(13-23)20(25-24-19(16)5-2)26-8-10-27(11-9-26)21(28)15-7-6-14(3)18(22)12-15/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of 5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 381.46 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133359835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).