3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione

C23H19N3O3S — CID 5327700

IUPAC3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c(S(C)=O)n(C)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H19N3O3S/c1-25-12-15(13-8-4-6-10-16(13)25)18-20(22(28)24-21(18)27)19-14-9-5-7-11-17(14)26(2)23(19)30(3)29/h4-12H,1-3H3,(H,24,27,28)
InChIKeyBEWICDRUAXGGBV-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.97
Rot. Bonds3

About 3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327700) has the molecular formula C23H19N3O3S and a molecular weight of 417.49 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327700
Molecular FormulaC23H19N3O3S
Molecular Weight417.49 g/mol
Exact Mass417.11
IUPAC Name3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3c(S(C)=O)n(C)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C23H19N3O3S/c1-25-12-15(13-8-4-6-10-16(13)25)18-20(22(28)24-21(18)27)19-14-9-5-7-11-17(14)26(2)23(19)30(3)29/h4-12H,1-3H3,(H,24,27,28)
InChIKeyBEWICDRUAXGGBV-UHFFFAOYSA-N
XLogP2.97
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ruboxistaurin
CID 153999
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Bisindolylmaleimide VIII
CID 2403
Iron oxide, spent
CID 5327711
Arcyriarubin A
CID 2399
Ro 31-8830
CID 5084
Oxsi-2
CID 6419747
Ro 31-8425
CID 2404
Bisindolylmaleimide IX
CID 5083
Bisindolylmaleimide III
CID 2398
Bisindolylmaleimide V
CID 2400
Ruboxistaurin mesylate
CID 11577725

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione (CID 5327700) is 3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3c(S(C)=O)n(C)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is BEWICDRUAXGGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3S/c1-25-12-15(13-8-4-6-10-16(13)25)18-20(22(28)24-21(18)27)19-14-9-5-7-11-17(14)26(2)23(19)30(3)29/h4-12H,1-3H3,(H,24,27,28).
What are the key properties of 3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 417.49 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-4-(1-methyl-2-methylsulfinylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).