1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole

C20H18F6N4 — CID 23194164

IUPAC1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole
SMILESFC(F)(F)c1cc(N2CCN(Cn3ncc4ccccc43)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18F6N4/c21-19(22,23)15-9-16(20(24,25)26)11-17(10-15)29-7-5-28(6-8-29)13-30-18-4-2-1-3-14(18)12-27-30/h1-4,9-12H,5-8,13H2
InChIKeySQYKIXZEFIOWRP-UHFFFAOYSA-N
MW428.38 g/mol
LogP4.85
Rot. Bonds3

About 1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole

1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole (PubChem CID 23194164) has the molecular formula C20H18F6N4 and a molecular weight of 428.38 g/mol. Its IUPAC name is 1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole.

Molecular Properties

Compound Name1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole
PubChem CID23194164
Molecular FormulaC20H18F6N4
Molecular Weight428.38 g/mol
Exact Mass428.14
IUPAC Name1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole
SMILESFC(F)(F)c1cc(N2CCN(Cn3ncc4ccccc43)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C20H18F6N4/c21-19(22,23)15-9-16(20(24,25)26)11-17(10-15)29-7-5-28(6-8-29)13-30-18-4-2-1-3-14(18)12-27-30/h1-4,9-12H,5-8,13H2
InChIKeySQYKIXZEFIOWRP-UHFFFAOYSA-N
XLogP4.85
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole 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 1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole?
The IUPAC name of 1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole (CID 23194164) is 1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole.
What is the SMILES notation for 1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole?
The canonical SMILES for 1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole is FC(F)(F)c1cc(N2CCN(Cn3ncc4ccccc43)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole?
The InChIKey is SQYKIXZEFIOWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N4/c21-19(22,23)15-9-16(20(24,25)26)11-17(10-15)29-7-5-28(6-8-29)13-30-18-4-2-1-3-14(18)12-27-30/h1-4,9-12H,5-8,13H2.
What are the key properties of 1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole?
1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole has a molecular weight of 428.38 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[3,5-bis(trifluoromethyl)phenyl]piperazin-1-yl]methyl]indazole is sourced from PubChem (CID 23194164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).