2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole

C28H24FN7O — CID 66776937

IUPAC2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc(N2CCN(Cc3nnc(-c4cc(-c5cccc6[nH]ccc56)cc5[nH]ncc45)o3)CC2)cc1
InChIInChI=1S/C28H24FN7O/c29-19-4-6-20(7-5-19)36-12-10-35(11-13-36)17-27-33-34-28(37-27)23-14-18(15-26-24(23)16-31-32-26)21-2-1-3-25-22(21)8-9-30-25/h1-9,14-16,30H,10-13,17H2,(H,31,32)
InChIKeyGZDMGHWKTHNMBJ-UHFFFAOYSA-N
MW493.55 g/mol
LogP5.22
Rot. Bonds5

About 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole

2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole (PubChem CID 66776937) has the molecular formula C28H24FN7O and a molecular weight of 493.55 g/mol. Its IUPAC name is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole
PubChem CID66776937
Molecular FormulaC28H24FN7O
Molecular Weight493.55 g/mol
Exact Mass493.20
IUPAC Name2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole
SMILESFc1ccc(N2CCN(Cc3nnc(-c4cc(-c5cccc6[nH]ccc56)cc5[nH]ncc45)o3)CC2)cc1
InChIInChI=1S/C28H24FN7O/c29-19-4-6-20(7-5-19)36-12-10-35(11-13-36)17-27-33-34-28(37-27)23-14-18(15-26-24(23)16-31-32-26)21-2-1-3-25-22(21)8-9-30-25/h1-9,14-16,30H,10-13,17H2,(H,31,32)
InChIKeyGZDMGHWKTHNMBJ-UHFFFAOYSA-N
XLogP5.22
TPSA89.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.55
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole (CID 66776937) is 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole is Fc1ccc(N2CCN(Cc3nnc(-c4cc(-c5cccc6[nH]ccc56)cc5[nH]ncc45)o3)CC2)cc1.
What is the InChIKey of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole?
The InChIKey is GZDMGHWKTHNMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN7O/c29-19-4-6-20(7-5-19)36-12-10-35(11-13-36)17-27-33-34-28(37-27)23-14-18(15-26-24(23)16-31-32-26)21-2-1-3-25-22(21)8-9-30-25/h1-9,14-16,30H,10-13,17H2,(H,31,32).
What are the key properties of 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole?
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole has a molecular weight of 493.55 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-5-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 66776937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).