5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C23H21FN6O2 — CID 53054502

IUPAC5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)nn3)n2)cc1
InChIInChI=1S/C23H21FN6O2/c1-31-19-8-2-16(3-9-19)22-25-23(32-28-22)20-10-11-21(27-26-20)30-14-12-29(13-15-30)18-6-4-17(24)5-7-18/h2-11H,12-15H2,1H3
InChIKeyFCTPFCHAHFMLKI-UHFFFAOYSA-N
MW432.46 g/mol
LogP3.67
Rot. Bonds5

About 5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 53054502) has the molecular formula C23H21FN6O2 and a molecular weight of 432.46 g/mol. Its IUPAC name is 5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID53054502
Molecular FormulaC23H21FN6O2
Molecular Weight432.46 g/mol
Exact Mass432.17
IUPAC Name5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)nn3)n2)cc1
InChIInChI=1S/C23H21FN6O2/c1-31-19-8-2-16(3-9-19)22-25-23(32-28-22)20-10-11-21(27-26-20)30-14-12-29(13-15-30)18-6-4-17(24)5-7-18/h2-11H,12-15H2,1H3
InChIKeyFCTPFCHAHFMLKI-UHFFFAOYSA-N
XLogP3.67
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-[6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 53021993
8-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 53054501
5-[6-[(3R)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridazin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 93065259
3-(4-methylphenyl)-5-(6-piperidin-1-ylpyridazin-3-yl)-1,2,4-oxadiazole
CID 53021997
ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate
CID 53054466
N-[(4-fluorophenyl)methyl]-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-amine
CID 53054500
ethyl 1-[6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-3-carboxylate
CID 53054444
ethyl (3R)-1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-3-carboxylate
CID 95064447
3-(4-methoxyphenyl)-6-pyrrolidin-1-ylpyridazine
CID 101436801
3-(4-methylphenyl)-5-[6-(4-piperidin-1-ylpiperidin-1-yl)pyridazin-3-yl]-1,2,4-oxadiazole
CID 53021987
3-(4-methoxyphenyl)-5-[6-(4-pyridin-2-ylpiperazin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 53126709
tert-butyl 4-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxylate
CID 53396572

Frequently Asked Questions

What is the IUPAC name of 5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 53054502) is 5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(-c3ccc(N4CCN(c5ccc(F)cc5)CC4)nn3)n2)cc1.
What is the InChIKey of 5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is FCTPFCHAHFMLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6O2/c1-31-19-8-2-16(3-9-19)22-25-23(32-28-22)20-10-11-21(27-26-20)30-14-12-29(13-15-30)18-6-4-17(24)5-7-18/h2-11H,12-15H2,1H3.
What are the key properties of 5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 432.46 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 53054502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).