3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione

C21H16N4O2 — CID 5327669

IUPAC3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27)
InChIKeyXGISVNPAZQTTIQ-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.63
Rot. Bonds2

About 3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione

3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione (PubChem CID 5327669) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione
PubChem CID5327669
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(C)c4ncccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27)
InChIKeyXGISVNPAZQTTIQ-UHFFFAOYSA-N
XLogP2.63
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.63
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

Alosetron
CID 2099
Enzastaurin
CID 176167
Ly-2090314
CID 10029385
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Sotrastaurin
CID 10296883
Fabesetron
CID 208947
1-(5-Fluoropentyl)-N-(1-methyl-1-phenylethyl)-1H-pyrrolo(2,3-b)pyridine-3-carboxamide
CID 129532613
Bisindolylmaleimide VIII
CID 2403
Ro 31-8830
CID 5084
Ro 31-8425
CID 2404
Gsk2656157
CID 53469059
Gsk-2606414
CID 53469448

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione (CID 5327669) is 3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(C)c4ncccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione?
The InChIKey is XGISVNPAZQTTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-24-10-14(12-6-3-4-8-16(12)24)17-18(21(27)23-20(17)26)15-11-25(2)19-13(15)7-5-9-22-19/h3-11H,1-2H3,(H,23,26,27).
What are the key properties of 3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione?
3-(1-methylindol-3-yl)-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione has a molecular weight of 356.39 g/mol, XLogP of 2.63, 2 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-methylpyrrolo[2,3-b]pyridin-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).