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

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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).