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

C24H19F3N4O2 — CID 24968234

IUPAC3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)Cc1ccc2[nH]c(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C24H19F3N4O2/c1-31(2)11-12-7-8-17-14(9-12)18(21(29-17)24(25,26)27)20-19(22(32)30-23(20)33)15-10-28-16-6-4-3-5-13(15)16/h3-10,28-29H,11H2,1-2H3,(H,30,32,33)
InChIKeyHPQVAXNBISQWOD-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.30
Rot. Bonds4

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

3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 24968234) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is 3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID24968234
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Name3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)Cc1ccc2[nH]c(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2c1
InChIInChI=1S/C24H19F3N4O2/c1-31(2)11-12-7-8-17-14(9-12)18(21(29-17)24(25,26)27)20-19(22(32)30-23(20)33)15-10-28-16-6-4-3-5-13(15)16/h3-10,28-29H,11H2,1-2H3,(H,30,32,33)
InChIKeyHPQVAXNBISQWOD-UHFFFAOYSA-N
XLogP4.30
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-chloro-7-[(dimethylamino)methyl]naphthalen-1-yl]-4-(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 11568465
3-[1-[2-(dimethylamino)ethyl]-6-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409890
3-[1-[3-(dimethylamino)-2-methoxypropyl]-4-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410075
3-[6-amino-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410652
3-[1-[2-(dimethylamino)ethyl]-4-fluoroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410454
3-(6-hydroxy-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 5327725
3-(1H-indol-3-yl)-4-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)-3-pyridinyl]pyrrole-2,5-dione
CID 11510801
3-[5-bromo-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409275
3-(1H-indol-3-yl)-4-(1H-pyrrol-2-yl)pyrrole-2,5-dione
CID 23650558
3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione
CID 22410411
3-[1-[3-(diethylamino)-2-hydroxypropyl]-7-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410261
3-(7-bromo-2-prop-2-enyl-1H-indol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 68745358

Frequently Asked Questions

What is the IUPAC name of 3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 24968234) is 3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is CN(C)Cc1ccc2[nH]c(C(F)(F)F)c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c2c1.
What is the InChIKey of 3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is HPQVAXNBISQWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c1-31(2)11-12-7-8-17-14(9-12)18(21(29-17)24(25,26)27)20-19(22(32)30-23(20)33)15-10-28-16-6-4-3-5-13(15)16/h3-10,28-29H,11H2,1-2H3,(H,30,32,33).
What are the key properties of 3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 452.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(dimethylamino)methyl]-2-(trifluoromethyl)-1H-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 24968234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).