1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one

C27H27FN4O — CID 6625023

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one
SMILESO=C(CCCn1nc(-c2ccccc2)c2ccccc21)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H27FN4O/c28-22-12-14-23(15-13-22)30-17-19-31(20-18-30)26(33)11-6-16-32-25-10-5-4-9-24(25)27(29-32)21-7-2-1-3-8-21/h1-5,7-10,12-15H,6,11,16-20H2
InChIKeyWFIRSIDTZYQZDZ-UHFFFAOYSA-N
MW442.54 g/mol
LogP4.97
Rot. Bonds6

About 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one

1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one (PubChem CID 6625023) has the molecular formula C27H27FN4O and a molecular weight of 442.54 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one
PubChem CID6625023
Molecular FormulaC27H27FN4O
Molecular Weight442.54 g/mol
Exact Mass442.22
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one
SMILESO=C(CCCn1nc(-c2ccccc2)c2ccccc21)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C27H27FN4O/c28-22-12-14-23(15-13-22)30-17-19-31(20-18-30)26(33)11-6-16-32-25-10-5-4-9-24(25)27(29-32)21-7-2-1-3-8-21/h1-5,7-10,12-15H,6,11,16-20H2
InChIKeyWFIRSIDTZYQZDZ-UHFFFAOYSA-N
XLogP4.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one (CID 6625023) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one is O=C(CCCn1nc(-c2ccccc2)c2ccccc21)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one?
The InChIKey is WFIRSIDTZYQZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27FN4O/c28-22-12-14-23(15-13-22)30-17-19-31(20-18-30)26(33)11-6-16-32-25-10-5-4-9-24(25)27(29-32)21-7-2-1-3-8-21/h1-5,7-10,12-15H,6,11,16-20H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one?
1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one has a molecular weight of 442.54 g/mol, XLogP of 4.97, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-4-(3-phenylindazol-1-yl)butan-1-one is sourced from PubChem (CID 6625023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).