6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

C25H20FN9S — CID 154835728

IUPAC6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2cn3nc(N4CCN(c5ccc6nnc(-c7ccccc7)n6n5)CC4)sc3n2)cc1
InChIInChI=1S/C25H20FN9S/c26-19-8-6-17(7-9-19)20-16-34-24(27-20)36-25(31-34)33-14-12-32(13-15-33)22-11-10-21-28-29-23(35(21)30-22)18-4-2-1-3-5-18/h1-11,16H,12-15H2
InChIKeyDZYWWZKSURTCQW-UHFFFAOYSA-N
MW497.56 g/mol
LogP4.03
Rot. Bonds4

About 6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole

6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (PubChem CID 154835728) has the molecular formula C25H20FN9S and a molecular weight of 497.56 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
PubChem CID154835728
Molecular FormulaC25H20FN9S
Molecular Weight497.56 g/mol
Exact Mass497.15
IUPAC Name6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole
SMILESFc1ccc(-c2cn3nc(N4CCN(c5ccc6nnc(-c7ccccc7)n6n5)CC4)sc3n2)cc1
InChIInChI=1S/C25H20FN9S/c26-19-8-6-17(7-9-19)20-16-34-24(27-20)36-25(31-34)33-14-12-32(13-15-33)22-11-10-21-28-29-23(35(21)30-22)18-4-2-1-3-5-18/h1-11,16H,12-15H2
InChIKeyDZYWWZKSURTCQW-UHFFFAOYSA-N
XLogP4.03
TPSA79.75 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.56
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole with MolForge

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Related Compounds

3-(4-fluorophenyl)-6-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 122175944
2-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]ethanol
CID 47053019
N-(4-fluorophenyl)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-amine
CID 133272090
1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]propan-1-one
CID 133269900
(4-fluorophenyl)-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-1,4-diazepan-1-yl]methanone
CID 134801603
2-(4-cyclohex-2-en-1-ylpiperazin-1-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazole
CID 56574520
6-(4-ethylpiperazin-1-yl)-3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 122175947
1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-3-carboxylic acid
CID 45106341
[1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 20906770
2-amino-1-[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119860737
(2S)-1-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122059827
[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]-(1-methylpyrrolidin-2-yl)methanone
CID 133279942

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The IUPAC name of 6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole (CID 154835728) is 6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is Fc1ccc(-c2cn3nc(N4CCN(c5ccc6nnc(-c7ccccc7)n6n5)CC4)sc3n2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
The InChIKey is DZYWWZKSURTCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN9S/c26-19-8-6-17(7-9-19)20-16-34-24(27-20)36-25(31-34)33-14-12-32(13-15-33)22-11-10-21-28-29-23(35(21)30-22)18-4-2-1-3-5-18/h1-11,16H,12-15H2.
What are the key properties of 6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole?
6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole has a molecular weight of 497.56 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-2-[4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]imidazo[2,1-b][1,3,4]thiadiazole is sourced from PubChem (CID 154835728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).