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

C24H19F3N4O2 — CID 22410266

IUPAC3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C24H19F3N4O2/c25-24(26,27)13-6-7-19-15(10-13)17(12-31(19)9-3-8-28)21-20(22(32)30-23(21)33)16-11-29-18-5-2-1-4-14(16)18/h1-2,4-7,10-12,29H,3,8-9,28H2,(H,30,32,33)
InChIKeyZQOMYJVANMPWTG-UHFFFAOYSA-N
MW452.44 g/mol
LogP4.06
Rot. Bonds5

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

3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22410266) has the molecular formula C24H19F3N4O2 and a molecular weight of 452.44 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22410266
Molecular FormulaC24H19F3N4O2
Molecular Weight452.44 g/mol
Exact Mass452.15
IUPAC Name3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C24H19F3N4O2/c25-24(26,27)13-6-7-19-15(10-13)17(12-31(19)9-3-8-28)21-20(22(32)30-23(21)33)16-11-29-18-5-2-1-4-14(16)18/h1-2,4-7,10-12,29H,3,8-9,28H2,(H,30,32,33)
InChIKeyZQOMYJVANMPWTG-UHFFFAOYSA-N
XLogP4.06
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22410266) is 3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is NCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is ZQOMYJVANMPWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N4O2/c25-24(26,27)13-6-7-19-15(10-13)17(12-31(19)9-3-8-28)21-20(22(32)30-23(21)33)16-11-29-18-5-2-1-4-14(16)18/h1-2,4-7,10-12,29H,3,8-9,28H2,(H,30,32,33).
What are the key properties of 3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 452.44 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22410266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).