3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione

C25H21F3N4O2 — CID 22410411

IUPAC3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C25H21F3N4O2/c1-29-10-5-11-32-13-17(15-7-4-8-18(22(15)32)25(26,27)28)21-20(23(33)31-24(21)34)16-12-30-19-9-3-2-6-14(16)19/h2-4,6-9,12-13,29-30H,5,10-11H2,1H3,(H,31,33,34)
InChIKeyKOAHJRJRFWGFJL-UHFFFAOYSA-N
MW466.46 g/mol
LogP4.32
Rot. Bonds6

About 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione

3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione (PubChem CID 22410411) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione
PubChem CID22410411
Molecular FormulaC25H21F3N4O2
Molecular Weight466.46 g/mol
Exact Mass466.16
IUPAC Name3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione
SMILESCNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cccc(C(F)(F)F)c21
InChIInChI=1S/C25H21F3N4O2/c1-29-10-5-11-32-13-17(15-7-4-8-18(22(15)32)25(26,27)28)21-20(23(33)31-24(21)34)16-12-30-19-9-3-2-6-14(16)19/h2-4,6-9,12-13,29-30H,5,10-11H2,1H3,(H,31,33,34)
InChIKeyKOAHJRJRFWGFJL-UHFFFAOYSA-N
XLogP4.32
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.46
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1H-indol-3-yl)-4-[6-methyl-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410599
3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410250
3-[1-[3-(diethylamino)-2-hydroxypropyl]-7-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410261
3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410625
3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione
CID 22409601
3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410266
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
3-[7-(dimethylamino)-1-(3-isothiocyanatopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410623
3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409410
3-[1-[3-(ethylamino)propyl]-4-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410114
2-[3-[7-fluoro-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]-1-nitroguanidine
CID 22409369
N-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-1-(3-morpholin-4-ylpropyl)indol-7-yl]acetamide
CID 22410598

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione (CID 22410411) is 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione is CNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cccc(C(F)(F)F)c21.
What is the InChIKey of 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione?
The InChIKey is KOAHJRJRFWGFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c1-29-10-5-11-32-13-17(15-7-4-8-18(22(15)32)25(26,27)28)21-20(23(33)31-24(21)34)16-12-30-19-9-3-2-6-14(16)19/h2-4,6-9,12-13,29-30H,5,10-11H2,1H3,(H,31,33,34).
What are the key properties of 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione has a molecular weight of 466.46 g/mol, XLogP of 4.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 22410411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).