1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone

C24H23FN6O2 — CID 59988471

IUPAC1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2c(-c3ccncc3)c(-c3ccc(F)cc3)c(-c3nnco3)n2C)CC1
InChIInChI=1S/C24H23FN6O2/c1-16(32)30-11-13-31(14-12-30)24-21(18-7-9-26-10-8-18)20(17-3-5-19(25)6-4-17)22(29(24)2)23-28-27-15-33-23/h3-10,15H,11-14H2,1-2H3
InChIKeyAXLBOHZLDBGKAT-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.61
Rot. Bonds4

About 1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone

1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone (PubChem CID 59988471) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone
PubChem CID59988471
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2c(-c3ccncc3)c(-c3ccc(F)cc3)c(-c3nnco3)n2C)CC1
InChIInChI=1S/C24H23FN6O2/c1-16(32)30-11-13-31(14-12-30)24-21(18-7-9-26-10-8-18)20(17-3-5-19(25)6-4-17)22(29(24)2)23-28-27-15-33-23/h3-10,15H,11-14H2,1-2H3
InChIKeyAXLBOHZLDBGKAT-UHFFFAOYSA-N
XLogP3.61
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-[4-[4-(4-fluorophenyl)-5-methanimidoyl-1-methyl-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone
CID 89175768
methyl 3-(4-fluorophenyl)-1-methyl-5-(4-methylsulfonylpiperazin-1-yl)-4-pyridin-4-ylpyrrole-2-carboxylate
CID 59988435
1-[2-(1-acetylpiperidin-4-yl)-5-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrrol-3-yl]ethanone
CID 164822235
1-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carbonyl]piperazin-1-yl]ethanone
CID 110392615
2-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]sulfanyl-1-morpholin-4-ylethanone
CID 58752334
1-[4-[10-(4-fluorophenyl)-11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraen-2-yl]piperazin-1-yl]ethanone
CID 16668280
1-(4-acetylpiperazin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508298
7-(4-fluorophenyl)-5-methyl-6-pyridin-4-ylpyrrolo[2,3-b]pyrazine
CID 67240962
5-(4-fluorophenyl)-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 21045476
5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazol-2-one
CID 9255444
1-[4-[3-(1,3,4-oxadiazol-2-yl)anilino]piperidin-1-yl]ethanone
CID 43770533
N-[3-(4-fluorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-yl]acetamide
CID 18673983

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone (CID 59988471) is 1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2c(-c3ccncc3)c(-c3ccc(F)cc3)c(-c3nnco3)n2C)CC1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone?
The InChIKey is AXLBOHZLDBGKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-16(32)30-11-13-31(14-12-30)24-21(18-7-9-26-10-8-18)20(17-3-5-19(25)6-4-17)22(29(24)2)23-28-27-15-33-23/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone has a molecular weight of 446.49 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)-1-methyl-5-(1,3,4-oxadiazol-2-yl)-3-pyridin-4-ylpyrrol-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 59988471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).