3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one

C19H17F3N2O2 — CID 57136694

IUPAC3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one
SMILESCOc1c(C=C2C(=O)Nc3ccc(C(F)(F)F)cc32)[nH]c2c1CCCC2
InChIInChI=1S/C19H17F3N2O2/c1-26-17-11-4-2-3-5-14(11)23-16(17)9-13-12-8-10(19(20,21)22)6-7-15(12)24-18(13)25/h6-9,23H,2-5H2,1H3,(H,24,25)
InChIKeyHRFYMPRGBBPONB-UHFFFAOYSA-N
MW362.35 g/mol
LogP4.41
Rot. Bonds2

About 3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one

3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one (PubChem CID 57136694) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one.

Molecular Properties

Compound Name3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one
PubChem CID57136694
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one
SMILESCOc1c(C=C2C(=O)Nc3ccc(C(F)(F)F)cc32)[nH]c2c1CCCC2
InChIInChI=1S/C19H17F3N2O2/c1-26-17-11-4-2-3-5-14(11)23-16(17)9-13-12-8-10(19(20,21)22)6-7-15(12)24-18(13)25/h6-9,23H,2-5H2,1H3,(H,24,25)
InChIKeyHRFYMPRGBBPONB-UHFFFAOYSA-N
XLogP4.41
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-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

Related Compounds

3-[(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one
CID 57163438
3-(4,5,6,7-tetrahydro-1H-indol-3-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one
CID 57186205
5-ethyl-3-[(3-hydroxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57029849
5,6-dimethoxy-3-[(3-methyl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57284016
3-(4,5,6,7-tetrahydro-1H-inden-2-ylmethylidene)-5-(trifluoromethyl)-1H-indol-2-one
CID 57074077
5-methoxy-3-(4,5,6,7-tetrahydro-1H-indol-2-ylmethylidene)-1H-indol-2-one
CID 57324222
5-nitro-3-[(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-1H-indol-2-one
CID 57256229
2-[[5-(2-carboxyethyl)-2-oxo-1H-indol-3-ylidene]methyl]-4,5,6,7-tetrahydro-1H-indole-3-carboxylic acid
CID 57065805
3-[[4-methoxy-3,5-di(propan-2-yl)phenyl]methylidene]-6-(trifluoromethyl)-1H-indol-2-one
CID 54490013
2-oxo-N-[4-(trifluoromethyl)phenyl]-3-[(3,4,5-trimethoxyphenyl)methylidene]-1H-indole-5-sulfonamide
CID 57294666
5-fluoro-3-[[3-(isoquinolin-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indol-2-yl]methylidene]-1H-indol-2-one
CID 57186673
5-fluoro-3-[[4-(trifluoromethyl)phenyl]methylidene]-1H-indol-2-one
CID 71246090

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one?
The IUPAC name of 3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one (CID 57136694) is 3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one.
What is the SMILES notation for 3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one?
The canonical SMILES for 3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one is COc1c(C=C2C(=O)Nc3ccc(C(F)(F)F)cc32)[nH]c2c1CCCC2.
What is the InChIKey of 3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one?
The InChIKey is HRFYMPRGBBPONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-26-17-11-4-2-3-5-14(11)23-16(17)9-13-12-8-10(19(20,21)22)6-7-15(12)24-18(13)25/h6-9,23H,2-5H2,1H3,(H,24,25).
What are the key properties of 3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one?
3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one has a molecular weight of 362.35 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methoxy-4,5,6,7-tetrahydro-1H-indol-2-yl)methylidene]-5-(trifluoromethyl)-1H-indol-2-one is sourced from PubChem (CID 57136694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).