5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile

C23H25FN6S — CID 133373835

IUPAC5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c(C#N)c1CC
InChIInChI=1S/C23H25FN6S/c1-3-19-20(13-25)22(28-27-21(19)4-2)30-11-9-29(10-12-30)14-18-15-31-23(26-18)16-5-7-17(24)8-6-16/h5-8,15H,3-4,9-12,14H2,1-2H3
InChIKeyGIXQDUVPALLJTL-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.06
Rot. Bonds6

About 5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile

5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile (PubChem CID 133373835) has the molecular formula C23H25FN6S and a molecular weight of 436.56 g/mol. Its IUPAC name is 5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile
PubChem CID133373835
Molecular FormulaC23H25FN6S
Molecular Weight436.56 g/mol
Exact Mass436.18
IUPAC Name5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile
SMILESCCc1nnc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c(C#N)c1CC
InChIInChI=1S/C23H25FN6S/c1-3-19-20(13-25)22(28-27-21(19)4-2)30-11-9-29(10-12-30)14-18-15-31-23(26-18)16-5-7-17(24)8-6-16/h5-8,15H,3-4,9-12,14H2,1-2H3
InChIKeyGIXQDUVPALLJTL-UHFFFAOYSA-N
XLogP4.06
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2-(3-methylphenyl)-1,3-thiazole
CID 22198420
2-(4-ethylphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 9346990
5,6-diethyl-3-[4-(3-hydroxyphenyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133373187
4-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 30412348
2-amino-1-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethanone
CID 119902970
5,6-diethyl-3-[4-(1-hydroxypropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133378935
[1-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
CID 120780551
5,6-diethyl-3-[4-(3-fluoro-4-methylbenzoyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133359835
tert-butyl 4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazine-1-carboxylate
CID 70975537
2-(4-methylphenyl)-4-[(4-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 22196990
3-(3,5-dioxopiperazin-1-yl)-5,6-diethylpyridazine-4-carbonitrile
CID 80510131
4-[4-[[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]benzamide
CID 136520575

Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile (CID 133373835) is 5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile is CCc1nnc(N2CCN(Cc3csc(-c4ccc(F)cc4)n3)CC2)c(C#N)c1CC.
What is the InChIKey of 5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile?
The InChIKey is GIXQDUVPALLJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN6S/c1-3-19-20(13-25)22(28-27-21(19)4-2)30-11-9-29(10-12-30)14-18-15-31-23(26-18)16-5-7-17(24)8-6-16/h5-8,15H,3-4,9-12,14H2,1-2H3.
What are the key properties of 5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile?
5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile has a molecular weight of 436.56 g/mol, XLogP of 4.06, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-[4-[[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyridazine-4-carbonitrile is sourced from PubChem (CID 133373835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).