5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole

C23H15F5N2 — CID 156734081

IUPAC5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
SMILESFc1cc(F)cc(Cc2ccc3n[nH]c(/C=C/c4ccccc4C(F)(F)F)c3c2)c1
InChIInChI=1S/C23H15F5N2/c24-17-10-15(11-18(25)13-17)9-14-5-7-21-19(12-14)22(30-29-21)8-6-16-3-1-2-4-20(16)23(26,27)28/h1-8,10-13H,9H2,(H,29,30)/b8-6+
InChIKeySVHHINYCAKPNNN-SOFGYWHQSA-N
MW414.38 g/mol
LogP6.62
Rot. Bonds4

About 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole

5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole (PubChem CID 156734081) has the molecular formula C23H15F5N2 and a molecular weight of 414.38 g/mol. Its IUPAC name is 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole.

Molecular Properties

Compound Name5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
PubChem CID156734081
Molecular FormulaC23H15F5N2
Molecular Weight414.38 g/mol
Exact Mass414.12
IUPAC Name5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole
SMILESFc1cc(F)cc(Cc2ccc3n[nH]c(/C=C/c4ccccc4C(F)(F)F)c3c2)c1
InChIInChI=1S/C23H15F5N2/c24-17-10-15(11-18(25)13-17)9-14-5-7-21-19(12-14)22(30-29-21)8-6-16-3-1-2-4-20(16)23(26,27)28/h1-8,10-13H,9H2,(H,29,30)/b8-6+
InChIKeySVHHINYCAKPNNN-SOFGYWHQSA-N
XLogP6.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.38
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole with MolForge

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

Launch Full Analysis

Related Compounds

5-[(3,5-difluorophenyl)methyl]-3-(2-pyridin-2-ylethenyl)-2H-indazole
CID 175367489
3-(2-pyridin-2-ylethenyl)-5-[(3,4,5-trifluorophenyl)methyl]-2H-indazole
CID 175206002
3,5-difluoro-N-methyl-N-[[3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-yl]methyl]aniline
CID 156734142
5-[(3-methylphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazole
CID 156734155
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(2-pyridin-2-ylethenyl)-2H-indazol-5-amine
CID 175202526
N-[amino-[5-[(3,5-difluorophenyl)methyl]-2H-indazol-3-yl]-piperidin-1-ylmethyl]benzamide
CID 140556884
3,5-bis(2-phenylethenyl)-2H-indazole
CID 69468999
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]methanimine
CID 163932028
1-(3,5-difluorophenyl)-3-[3-(2-pyridin-2-ylethenyl)-2H-indazol-5-yl]urea
CID 175206038
5-fluoro-3-(trifluoromethyl)-2H-indazole
CID 83397909
6-(trifluoromethyl)-4-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-1H-pyrimidin-2-one
CID 5337137
1-[(E)-2-[(4-bromophenyl)methylsulfonyl]ethenyl]-2-(trifluoromethyl)benzene
CID 22065294

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole?
The IUPAC name of 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole (CID 156734081) is 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole.
What is the SMILES notation for 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole?
The canonical SMILES for 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole is Fc1cc(F)cc(Cc2ccc3n[nH]c(/C=C/c4ccccc4C(F)(F)F)c3c2)c1.
What is the InChIKey of 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole?
The InChIKey is SVHHINYCAKPNNN-SOFGYWHQSA-N. The full InChI is InChI=1S/C23H15F5N2/c24-17-10-15(11-18(25)13-17)9-14-5-7-21-19(12-14)22(30-29-21)8-6-16-3-1-2-4-20(16)23(26,27)28/h1-8,10-13H,9H2,(H,29,30)/b8-6+.
What are the key properties of 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole?
5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole has a molecular weight of 414.38 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-difluorophenyl)methyl]-3-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-2H-indazole is sourced from PubChem (CID 156734081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).