3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione

C26H24F2N4O2 — CID 22410630

IUPAC3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCN(CC)CCn1cc(C2=C(c3c[nH]c4ccc(F)cc34)C(=O)NC2=O)c2cc(F)ccc21
InChIInChI=1S/C26H24F2N4O2/c1-3-31(4-2)9-10-32-14-20(18-12-16(28)6-8-22(18)32)24-23(25(33)30-26(24)34)19-13-29-21-7-5-15(27)11-17(19)21/h5-8,11-14,29H,3-4,9-10H2,1-2H3,(H,30,33,34)
InChIKeyQKADEVLYMIUOOW-UHFFFAOYSA-N
MW462.50 g/mol
LogP4.31
Rot. Bonds7

About 3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione

3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22410630) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22410630
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCN(CC)CCn1cc(C2=C(c3c[nH]c4ccc(F)cc34)C(=O)NC2=O)c2cc(F)ccc21
InChIInChI=1S/C26H24F2N4O2/c1-3-31(4-2)9-10-32-14-20(18-12-16(28)6-8-22(18)32)24-23(25(33)30-26(24)34)19-13-29-21-7-5-15(27)11-17(19)21/h5-8,11-14,29H,3-4,9-10H2,1-2H3,(H,30,33,34)
InChIKeyQKADEVLYMIUOOW-UHFFFAOYSA-N
XLogP4.31
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[3-(diethylamino)propyl]-5-(trifluoromethyl)indol-3-yl]-4-[5-(trifluoromethyl)-1H-indol-3-yl]pyrrole-2,5-dione
CID 22410399
3-[1-[3-(diethylamino)propyl]-6-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410556
3-[1-(3-hydroxypropyl)-5-methylindol-3-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410438
3-[1-(3-aminopropyl)-5-bromoindol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione
CID 22409840
3-[5-bromo-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409275
3-[1-[2-(diethylamino)ethyl]-4,5-dimethoxyindol-3-yl]-4-(4,5-dimethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22409598
3-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione
CID 22409690
3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410023
3-[1-[2-(dimethylamino)ethyl]-5-phenylmethoxyindol-3-yl]-4-(5-phenylmethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22409597
3-[6-fluoro-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410487
N-[1-[3-(diethylamino)propyl]-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-6-yl]acetamide
CID 22410287
3-[1-[2-(dimethylamino)ethyl]-6-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409890

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione (CID 22410630) is 3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione is CCN(CC)CCn1cc(C2=C(c3c[nH]c4ccc(F)cc34)C(=O)NC2=O)c2cc(F)ccc21.
What is the InChIKey of 3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is QKADEVLYMIUOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-3-31(4-2)9-10-32-14-20(18-12-16(28)6-8-22(18)32)24-23(25(33)30-26(24)34)19-13-29-21-7-5-15(27)11-17(19)21/h5-8,11-14,29H,3-4,9-10H2,1-2H3,(H,30,33,34).
What are the key properties of 3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 462.50 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22410630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).