3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

C27H26F2N4O2 — CID 155535386

IUPAC3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C27H26F2N4O2/c28-17-1-3-24-19(11-17)22(14-30-24)16-5-7-32(8-6-16)9-10-33-26(34)13-21(27(33)35)23-15-31-25-4-2-18(29)12-20(23)25/h1-4,11-12,14-16,21,30-31H,5-10,13H2
InChIKeyXYELHMUZUMBCJJ-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.65
Rot. Bonds5

About 3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione

3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (PubChem CID 155535386) has the molecular formula C27H26F2N4O2 and a molecular weight of 476.53 g/mol. Its IUPAC name is 3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
PubChem CID155535386
Molecular FormulaC27H26F2N4O2
Molecular Weight476.53 g/mol
Exact Mass476.20
IUPAC Name3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione
SMILESO=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C27H26F2N4O2/c28-17-1-3-24-19(11-17)22(14-30-24)16-5-7-32(8-6-16)9-10-33-26(34)13-21(27(33)35)23-15-31-25-4-2-18(29)12-20(23)25/h1-4,11-12,14-16,21,30-31H,5-10,13H2
InChIKeyXYELHMUZUMBCJJ-UHFFFAOYSA-N
XLogP4.65
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-3-(5-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 155562519
3-(5-fluoro-1H-indol-3-yl)-1-[4-[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]butyl]pyrrolidine-2,5-dione
CID 155524228
4-[4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butyl]-1,4-benzoxazin-3-one
CID 12992366
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917
6-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10023495
6-[3-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]propyl]-9,9-dimethyl-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7-trien-11-one
CID 25012822
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
2-(5-fluoro-1H-indol-3-yl)cyclobutan-1-one
CID 162402410
3-[1-[2-[1-(cyclopropylmethyl)pyrazol-4-yl]ethyl]piperidin-4-yl]-5-fluoro-1H-indole
CID 67758842
5-fluoro-3-[1-[2-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]ethyl]piperidin-4-yl]-1H-indole
CID 15837561
cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
1-[3-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]-4-methylphenyl]-3-(4-fluorophenyl)urea
CID 22714409

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione (CID 155535386) is 3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is O=C1CC(c2c[nH]c3ccc(F)cc23)C(=O)N1CCN1CCC(c2c[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of 3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
The InChIKey is XYELHMUZUMBCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O2/c28-17-1-3-24-19(11-17)22(14-30-24)16-5-7-32(8-6-16)9-10-33-26(34)13-21(27(33)35)23-15-31-25-4-2-18(29)12-20(23)25/h1-4,11-12,14-16,21,30-31H,5-10,13H2.
What are the key properties of 3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione?
3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione has a molecular weight of 476.53 g/mol, XLogP of 4.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-1H-indol-3-yl)-1-[2-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 155535386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).