2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

C20H19F3N4O2 — CID 117073683

IUPAC2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(C(O)c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)15-3-1-13(2-4-15)18(28)19(29)27-9-7-26(8-10-27)16-5-6-17-14(11-16)12-24-25-17/h1-6,11-12,18,28H,7-10H2,(H,24,25)
InChIKeyAIUXXVATNAMVRB-UHFFFAOYSA-N
MW404.39 g/mol
LogP2.96
Rot. Bonds3

About 2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone

2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (PubChem CID 117073683) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
PubChem CID117073683
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
SMILESO=C(C(O)c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc3[nH]ncc3c2)CC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)15-3-1-13(2-4-15)18(28)19(29)27-9-7-26(8-10-27)16-5-6-17-14(11-16)12-24-25-17/h1-6,11-12,18,28H,7-10H2,(H,24,25)
InChIKeyAIUXXVATNAMVRB-UHFFFAOYSA-N
XLogP2.96
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone 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-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone (CID 117073683) is 2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is O=C(C(O)c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc3[nH]ncc3c2)CC1.
What is the InChIKey of 2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
The InChIKey is AIUXXVATNAMVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)15-3-1-13(2-4-15)18(28)19(29)27-9-7-26(8-10-27)16-5-6-17-14(11-16)12-24-25-17/h1-6,11-12,18,28H,7-10H2,(H,24,25).
What are the key properties of 2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone?
2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone has a molecular weight of 404.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(1H-indazol-5-yl)piperazin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 117073683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).