3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C23H20N4O2 — CID 5327932

IUPAC3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(CCN)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H20N4O2/c1-26-12-16(14-6-2-4-8-18(14)26)20-21(23(29)25-22(20)28)17-13-27(11-10-24)19-9-5-3-7-15(17)19/h2-9,12-13H,10-11,24H2,1H3,(H,25,28,29)
InChIKeyOZVIXSLTRMYODX-UHFFFAOYSA-N
MW384.44 g/mol
LogP2.66
Rot. Bonds4

About 3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327932) has the molecular formula C23H20N4O2 and a molecular weight of 384.44 g/mol. Its IUPAC name is 3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327932
Molecular FormulaC23H20N4O2
Molecular Weight384.44 g/mol
Exact Mass384.16
IUPAC Name3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(CCN)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H20N4O2/c1-26-12-16(14-6-2-4-8-18(14)26)20-21(23(29)25-22(20)28)17-13-27(11-10-24)19-9-5-3-7-15(17)19/h2-9,12-13H,10-11,24H2,1H3,(H,25,28,29)
InChIKeyOZVIXSLTRMYODX-UHFFFAOYSA-N
XLogP2.66
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.66
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

Enzastaurin
CID 176167
Tivantinib
CID 11494412
Ruboxistaurin
CID 153999
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Macimorelin
CID 9804938
Indole-3-acetamide
CID 397
SB 216763
CID 176158
1H-pyrrole-2,5-dione, 3-(1-methyl-1H-indol-3-yl)-4-(1-methyl-6-nitro-1H-indol-3-yl)-
CID 5327686
Bisindolylmaleimide VIII
CID 2403
Pf-06840003
CID 23063810
5-Fluoro CUMYL-PICA
CID 117650397
Lly-507
CID 91623361

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327932) is 3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(CCN)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is OZVIXSLTRMYODX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2/c1-26-12-16(14-6-2-4-8-18(14)26)20-21(23(29)25-22(20)28)17-13-27(11-10-24)19-9-5-3-7-15(17)19/h2-9,12-13H,10-11,24H2,1H3,(H,25,28,29).
What are the key properties of 3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 384.44 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminoethyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).