2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole

C47H39F2N7O2 — CID 138722237

IUPAC2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole
SMILESCn1nc(Cc2ccc(F)c(-c3ccc(CCCc4nnc(-c5ccc6[nH]ccc6c5)o4)cc3)c2)cc1-c1nnc(CCCc2ccc(-c3ccccc3F)cc2)o1
InChIInChI=1S/C47H39F2N7O2/c1-56-43(47-54-52-45(58-47)11-5-7-30-12-17-33(18-13-30)38-8-2-3-9-40(38)48)29-37(55-56)26-32-16-22-41(49)39(27-32)34-19-14-31(15-20-34)6-4-10-44-51-53-46(57-44)36-21-23-42-35(28-36)24-25-50-42/h2-3,8-9,12-25,27-29,50H,4-7,10-11,26H2,1H3
InChIKeyUFJLUNBOAHURBV-UHFFFAOYSA-N
MW771.87 g/mol
LogP10.56
Rot. Bonds14

About 2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole

2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole (PubChem CID 138722237) has the molecular formula C47H39F2N7O2 and a molecular weight of 771.87 g/mol. Its IUPAC name is 2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole
PubChem CID138722237
Molecular FormulaC47H39F2N7O2
Molecular Weight771.87 g/mol
Exact Mass771.31
IUPAC Name2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole
SMILESCn1nc(Cc2ccc(F)c(-c3ccc(CCCc4nnc(-c5ccc6[nH]ccc6c5)o4)cc3)c2)cc1-c1nnc(CCCc2ccc(-c3ccccc3F)cc2)o1
InChIInChI=1S/C47H39F2N7O2/c1-56-43(47-54-52-45(58-47)11-5-7-30-12-17-33(18-13-30)38-8-2-3-9-40(38)48)29-37(55-56)26-32-16-22-41(49)39(27-32)34-19-14-31(15-20-34)6-4-10-44-51-53-46(57-44)36-21-23-42-35(28-36)24-25-50-42/h2-3,8-9,12-25,27-29,50H,4-7,10-11,26H2,1H3
InChIKeyUFJLUNBOAHURBV-UHFFFAOYSA-N
XLogP10.56
TPSA111.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500771.87
LogP ≤ 510.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole (CID 138722237) is 2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole is Cn1nc(Cc2ccc(F)c(-c3ccc(CCCc4nnc(-c5ccc6[nH]ccc6c5)o4)cc3)c2)cc1-c1nnc(CCCc2ccc(-c3ccccc3F)cc2)o1.
What is the InChIKey of 2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole?
The InChIKey is UFJLUNBOAHURBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H39F2N7O2/c1-56-43(47-54-52-45(58-47)11-5-7-30-12-17-33(18-13-30)38-8-2-3-9-40(38)48)29-37(55-56)26-32-16-22-41(49)39(27-32)34-19-14-31(15-20-34)6-4-10-44-51-53-46(57-44)36-21-23-42-35(28-36)24-25-50-42/h2-3,8-9,12-25,27-29,50H,4-7,10-11,26H2,1H3.
What are the key properties of 2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole?
2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole has a molecular weight of 771.87 g/mol, XLogP of 10.56, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-[2-fluoro-5-[[5-[5-[3-[4-(2-fluorophenyl)phenyl]propyl]-1,3,4-oxadiazol-2-yl]-1-methylpyrazol-3-yl]methyl]phenyl]phenyl]propyl]-5-(1H-indol-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 138722237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).