(3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one

C31H32F3N3O2Si — CID 141244659

IUPAC(3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one
SMILESC[Si](C)(C)CCOCn1nc(C=Cc2ccc(C(F)(F)F)cc2)c2ccc(/C=C3/C(=O)NC4=CC=CCC43)cc21
InChIInChI=1S/C31H32F3N3O2Si/c1-40(2,3)17-16-39-20-37-29-19-22(18-26-24-6-4-5-7-27(24)35-30(26)38)10-14-25(29)28(36-37)15-11-21-8-12-23(13-9-21)31(32,33)34/h4-5,7-15,18-19,24H,6,16-17,20H2,1-3H3,(H,35,38)/b15-11?,26-18+
InChIKeyGNDRNPVPXPVOID-QTWFDPFMSA-N
MW563.70 g/mol
LogP7.51
Rot. Bonds8

About (3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one

(3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one (PubChem CID 141244659) has the molecular formula C31H32F3N3O2Si and a molecular weight of 563.70 g/mol. Its IUPAC name is (3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name(3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one
PubChem CID141244659
Molecular FormulaC31H32F3N3O2Si
Molecular Weight563.70 g/mol
Exact Mass563.22
IUPAC Name(3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one
SMILESC[Si](C)(C)CCOCn1nc(C=Cc2ccc(C(F)(F)F)cc2)c2ccc(/C=C3/C(=O)NC4=CC=CCC43)cc21
InChIInChI=1S/C31H32F3N3O2Si/c1-40(2,3)17-16-39-20-37-29-19-22(18-26-24-6-4-5-7-27(24)35-30(26)38)10-14-25(29)28(36-37)15-11-21-8-12-23(13-9-21)31(32,33)34/h4-5,7-15,18-19,24H,6,16-17,20H2,1-3H3,(H,35,38)/b15-11?,26-18+
InChIKeyGNDRNPVPXPVOID-QTWFDPFMSA-N
XLogP7.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.70
LogP ≤ 57.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one 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 (3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one?
The IUPAC name of (3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one (CID 141244659) is (3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one.
What is the SMILES notation for (3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one?
The canonical SMILES for (3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one is C[Si](C)(C)CCOCn1nc(C=Cc2ccc(C(F)(F)F)cc2)c2ccc(/C=C3/C(=O)NC4=CC=CCC43)cc21.
What is the InChIKey of (3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one?
The InChIKey is GNDRNPVPXPVOID-QTWFDPFMSA-N. The full InChI is InChI=1S/C31H32F3N3O2Si/c1-40(2,3)17-16-39-20-37-29-19-22(18-26-24-6-4-5-7-27(24)35-30(26)38)10-14-25(29)28(36-37)15-11-21-8-12-23(13-9-21)31(32,33)34/h4-5,7-15,18-19,24H,6,16-17,20H2,1-3H3,(H,35,38)/b15-11?,26-18+.
What are the key properties of (3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one?
(3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one has a molecular weight of 563.70 g/mol, XLogP of 7.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[[3-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1-(2-trimethylsilylethoxymethyl)indazol-6-yl]methylidene]-3a,4-dihydro-1H-indol-2-one is sourced from PubChem (CID 141244659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).