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

C24H23N5O2 — CID 22409286

IUPAC3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)c1cccc2c1c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCN
InChIInChI=1S/C24H23N5O2/c1-28(2)18-8-5-9-19-20(18)16(13-29(19)11-10-25)22-21(23(30)27-24(22)31)15-12-26-17-7-4-3-6-14(15)17/h3-9,12-13,26H,10-11,25H2,1-2H3,(H,27,30,31)
InChIKeyJGXYGINIXSGOKK-UHFFFAOYSA-N
MW413.48 g/mol
LogP2.71
Rot. Bonds5

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

3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22409286) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22409286
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCN(C)c1cccc2c1c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCN
InChIInChI=1S/C24H23N5O2/c1-28(2)18-8-5-9-19-20(18)16(13-29(19)11-10-25)22-21(23(30)27-24(22)31)15-12-26-17-7-4-3-6-14(15)17/h3-9,12-13,26H,10-11,25H2,1-2H3,(H,27,30,31)
InChIKeyJGXYGINIXSGOKK-UHFFFAOYSA-N
XLogP2.71
TPSA96.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22409286) is 3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is CN(C)c1cccc2c1c(C1=C(c3c[nH]c4ccccc34)C(=O)NC1=O)cn2CCN.
What is the InChIKey of 3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is JGXYGINIXSGOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-28(2)18-8-5-9-19-20(18)16(13-29(19)11-10-25)22-21(23(30)27-24(22)31)15-12-26-17-7-4-3-6-14(15)17/h3-9,12-13,26H,10-11,25H2,1-2H3,(H,27,30,31).
What are the key properties of 3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 413.48 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22409286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).