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

C26H26N4O2 — CID 5327732

IUPAC3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H26N4O2/c1-16(13-29(2)3)14-30-15-20(18-9-5-7-11-22(18)30)24-23(25(31)28-26(24)32)19-12-27-21-10-6-4-8-17(19)21/h4-12,15-16,27H,13-14H2,1-3H3,(H,28,31,32)
InChIKeyIKLPPPQPTKQVSY-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.89
Rot. Bonds6

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

3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 5327732) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID5327732
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H26N4O2/c1-16(13-29(2)3)14-30-15-20(18-9-5-7-11-22(18)30)24-23(25(31)28-26(24)32)19-12-27-21-10-6-4-8-17(19)21/h4-12,15-16,27H,13-14H2,1-3H3,(H,28,31,32)
InChIKeyIKLPPPQPTKQVSY-UHFFFAOYSA-N
XLogP3.89
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.89
H-Bond Donors ≤ 52
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-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 5327732) is 3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is CC(CN(C)C)Cn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is IKLPPPQPTKQVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-16(13-29(2)3)14-30-15-20(18-9-5-7-11-22(18)30)24-23(25(31)28-26(24)32)19-12-27-21-10-6-4-8-17(19)21/h4-12,15-16,27H,13-14H2,1-3H3,(H,28,31,32).
What are the key properties of 3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 426.52 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(dimethylamino)-2-methylpropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).