3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C27H25F3N4O3 — CID 22410075

IUPAC3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2c(C(F)(F)F)cccc21
InChIInChI=1S/C27H25F3N4O3/c1-33(2)12-15(37-3)13-34-14-18(22-19(27(28,29)30)8-6-10-21(22)34)24-23(25(35)32-26(24)36)17-11-31-20-9-5-4-7-16(17)20/h4-11,14-15,31H,12-13H2,1-3H3,(H,32,35,36)
InChIKeyRJWNGVJYGKIFEF-UHFFFAOYSA-N
MW510.52 g/mol
LogP4.29
Rot. Bonds7

About 3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22410075) has the molecular formula C27H25F3N4O3 and a molecular weight of 510.52 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22410075
Molecular FormulaC27H25F3N4O3
Molecular Weight510.52 g/mol
Exact Mass510.19
IUPAC Name3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2c(C(F)(F)F)cccc21
InChIInChI=1S/C27H25F3N4O3/c1-33(2)12-15(37-3)13-34-14-18(22-19(27(28,29)30)8-6-10-21(22)34)24-23(25(35)32-26(24)36)17-11-31-20-9-5-4-7-16(17)20/h4-11,14-15,31H,12-13H2,1-3H3,(H,32,35,36)
InChIKeyRJWNGVJYGKIFEF-UHFFFAOYSA-N
XLogP4.29
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410004
3-[6-(dimethylamino)-1-[3-(dimethylamino)-2-methoxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409888
3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410145
3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409335
3-[1-[3-(dimethylamino)-2-methoxypropyl]-6-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409711
3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione
CID 22409601
3-[1-[2-(dimethylamino)ethyl]-4-fluoroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410454
3-[1-[3-(diethylamino)-2-hydroxypropyl]-7-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410261
3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409286
3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410023
3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione
CID 22410411
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-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22410075) is 3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is COC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2c(C(F)(F)F)cccc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is RJWNGVJYGKIFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O3/c1-33(2)12-15(37-3)13-34-14-18(22-19(27(28,29)30)8-6-10-21(22)34)24-23(25(35)32-26(24)36)17-11-31-20-9-5-4-7-16(17)20/h4-11,14-15,31H,12-13H2,1-3H3,(H,32,35,36).
What are the key properties of 3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 510.52 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22410075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).