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

C23H19BrN4O2 — CID 24862935

IUPAC3-[1-(3-aminopropyl)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione
SMILESNCCCn1cc(C2=C(c3c[nH]c4ccc(Br)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H19BrN4O2/c24-13-6-7-18-15(10-13)16(11-26-18)20-21(23(30)27-22(20)29)17-12-28(9-3-8-25)19-5-2-1-4-14(17)19/h1-2,4-7,10-12,26H,3,8-9,25H2,(H,27,29,30)
InChIKeyVZARMENICQXOFQ-UHFFFAOYSA-N
MW463.34 g/mol
LogP3.80
Rot. Bonds5

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

3-[1-(3-aminopropyl)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 24862935) has the molecular formula C23H19BrN4O2 and a molecular weight of 463.34 g/mol. Its IUPAC name is 3-[1-(3-aminopropyl)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(3-aminopropyl)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID24862935
Molecular FormulaC23H19BrN4O2
Molecular Weight463.34 g/mol
Exact Mass462.07
IUPAC Name3-[1-(3-aminopropyl)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione
SMILESNCCCn1cc(C2=C(c3c[nH]c4ccc(Br)cc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H19BrN4O2/c24-13-6-7-18-15(10-13)16(11-26-18)20-21(23(30)27-22(20)29)17-12-28(9-3-8-25)19-5-2-1-4-14(17)19/h1-2,4-7,10-12,26H,3,8-9,25H2,(H,27,29,30)
InChIKeyVZARMENICQXOFQ-UHFFFAOYSA-N
XLogP3.80
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 53.80
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)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(3-aminopropyl)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione (CID 24862935) is 3-[1-(3-aminopropyl)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(3-aminopropyl)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(3-aminopropyl)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione is NCCCn1cc(C2=C(c3c[nH]c4ccc(Br)cc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-(3-aminopropyl)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is VZARMENICQXOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O2/c24-13-6-7-18-15(10-13)16(11-26-18)20-21(23(30)27-22(20)29)17-12-28(9-3-8-25)19-5-2-1-4-14(17)19/h1-2,4-7,10-12,26H,3,8-9,25H2,(H,27,29,30).
What are the key properties of 3-[1-(3-aminopropyl)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-(3-aminopropyl)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 463.34 g/mol, XLogP of 3.80, 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)indol-3-yl]-4-(5-bromo-1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 24862935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).