6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione

C20H17FN2O2 — CID 9236241

IUPAC6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CC=C(c3ccccc3)CC2)c2cc(F)ccc21
InChIInChI=1S/C20H17FN2O2/c21-16-6-7-17-18(12-16)23(20(25)19(17)24)13-22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-8,12H,9-11,13H2
InChIKeyROPYGOATYOXCDU-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.10
Rot. Bonds3

About 6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione

6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione (PubChem CID 9236241) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione
PubChem CID9236241
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CC=C(c3ccccc3)CC2)c2cc(F)ccc21
InChIInChI=1S/C20H17FN2O2/c21-16-6-7-17-18(12-16)23(20(25)19(17)24)13-22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-8,12H,9-11,13H2
InChIKeyROPYGOATYOXCDU-UHFFFAOYSA-N
XLogP3.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione 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 6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione?
The IUPAC name of 6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione (CID 9236241) is 6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione?
The canonical SMILES for 6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione is O=C1C(=O)N(CN2CC=C(c3ccccc3)CC2)c2cc(F)ccc21.
What is the InChIKey of 6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione?
The InChIKey is ROPYGOATYOXCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c21-16-6-7-17-18(12-16)23(20(25)19(17)24)13-22-10-8-15(9-11-22)14-4-2-1-3-5-14/h1-8,12H,9-11,13H2.
What are the key properties of 6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione?
6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione has a molecular weight of 336.37 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 9236241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).