3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C28H27FN4O3 — CID 22409284

IUPAC3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CC(O)CN3CCCCC3)c3c(F)cccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C28H27FN4O3/c29-22-9-6-8-19-21(16-33(26(19)22)15-17(34)14-32-11-4-1-5-12-32)25-24(27(35)31-28(25)36)20-13-30-23-10-3-2-7-18(20)23/h2-3,6-10,13,16-17,30,34H,1,4-5,11-12,14-15H2,(H,31,35,36)
InChIKeyBEQYBYRQGFXMOS-UHFFFAOYSA-N
MW486.55 g/mol
LogP3.68
Rot. Bonds6

About 3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22409284) has the molecular formula C28H27FN4O3 and a molecular weight of 486.55 g/mol. Its IUPAC name is 3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22409284
Molecular FormulaC28H27FN4O3
Molecular Weight486.55 g/mol
Exact Mass486.21
IUPAC Name3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CC(O)CN3CCCCC3)c3c(F)cccc23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C28H27FN4O3/c29-22-9-6-8-19-21(16-33(26(19)22)15-17(34)14-32-11-4-1-5-12-32)25-24(27(35)31-28(25)36)20-13-30-23-10-3-2-7-18(20)23/h2-3,6-10,13,16-17,30,34H,1,4-5,11-12,14-15H2,(H,31,35,36)
InChIKeyBEQYBYRQGFXMOS-UHFFFAOYSA-N
XLogP3.68
TPSA90.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.55
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-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 3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22409284) is 3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CC(O)CN3CCCCC3)c3c(F)cccc23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is BEQYBYRQGFXMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27FN4O3/c29-22-9-6-8-19-21(16-33(26(19)22)15-17(34)14-32-11-4-1-5-12-32)25-24(27(35)31-28(25)36)20-13-30-23-10-3-2-7-18(20)23/h2-3,6-10,13,16-17,30,34H,1,4-5,11-12,14-15H2,(H,31,35,36).
What are the key properties of 3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 486.55 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-fluoro-1-(2-hydroxy-3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22409284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).