3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole

C25H26N4 — CID 56666739

IUPAC3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole
SMILESCCc1nn(-c2ccccc2)c2cc(-c3ccc(N4CCNCC4)cc3)ccc12
InChIInChI=1S/C25H26N4/c1-2-24-23-13-10-20(18-25(23)29(27-24)22-6-4-3-5-7-22)19-8-11-21(12-9-19)28-16-14-26-15-17-28/h3-13,18,26H,2,14-17H2,1H3
InChIKeyXWRIHDXIHXAJHC-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.66
Rot. Bonds4

About 3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole

3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole (PubChem CID 56666739) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole.

Molecular Properties

Compound Name3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole
PubChem CID56666739
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole
SMILESCCc1nn(-c2ccccc2)c2cc(-c3ccc(N4CCNCC4)cc3)ccc12
InChIInChI=1S/C25H26N4/c1-2-24-23-13-10-20(18-25(23)29(27-24)22-6-4-3-5-7-22)19-8-11-21(12-9-19)28-16-14-26-15-17-28/h3-13,18,26H,2,14-17H2,1H3
InChIKeyXWRIHDXIHXAJHC-UHFFFAOYSA-N
XLogP4.66
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole?
The IUPAC name of 3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole (CID 56666739) is 3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole.
What is the SMILES notation for 3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole?
The canonical SMILES for 3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole is CCc1nn(-c2ccccc2)c2cc(-c3ccc(N4CCNCC4)cc3)ccc12.
What is the InChIKey of 3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole?
The InChIKey is XWRIHDXIHXAJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-2-24-23-13-10-20(18-25(23)29(27-24)22-6-4-3-5-7-22)19-8-11-21(12-9-19)28-16-14-26-15-17-28/h3-13,18,26H,2,14-17H2,1H3.
What are the key properties of 3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole?
3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole has a molecular weight of 382.51 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-phenyl-6-(4-piperazin-1-ylphenyl)indazole is sourced from PubChem (CID 56666739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).