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

C25H23N3O6 — CID 22409400

IUPAC3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn2CC(O)CO)c1OC
InChIInChI=1S/C25H23N3O6/c1-33-19-8-7-18-20(23(19)34-2)16(11-28(18)10-13(30)12-29)22-21(24(31)27-25(22)32)15-9-26-17-6-4-3-5-14(15)17/h3-9,11,13,26,29-30H,10,12H2,1-2H3,(H,27,31,32)
InChIKeyARFRNWLBPGHKQU-UHFFFAOYSA-N
MW461.47 g/mol
LogP2.06
Rot. Bonds7

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

3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22409400) has the molecular formula C25H23N3O6 and a molecular weight of 461.47 g/mol. Its IUPAC name is 3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22409400
Molecular FormulaC25H23N3O6
Molecular Weight461.47 g/mol
Exact Mass461.16
IUPAC Name3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCOc1ccc2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn2CC(O)CO)c1OC
InChIInChI=1S/C25H23N3O6/c1-33-19-8-7-18-20(23(19)34-2)16(11-28(18)10-13(30)12-29)22-21(24(31)27-25(22)32)15-9-26-17-6-4-3-5-14(15)17/h3-9,11,13,26,29-30H,10,12H2,1-2H3,(H,27,31,32)
InChIKeyARFRNWLBPGHKQU-UHFFFAOYSA-N
XLogP2.06
TPSA125.81 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.47
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409242
3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409408
3-[1-(2,3-dihydroxypropyl)-6-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410165
2-[3-[3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]-4,5-dimethoxyindol-1-yl]propyl]-1-nitroguanidine
CID 22410022
3-[1-(2,3-dihydroxypropyl)-5,6-dimethoxyindol-3-yl]-4-(5,6-dimethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 18947147
3-[1-(2,3-dihydroxypropyl)-6-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409458
3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409658
3-[1-(3-ethoxy-2-hydroxypropyl)-6-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409750
3-[1-[2-(diethylamino)ethyl]-4,5-dimethoxyindol-3-yl]-4-(4,5-dimethoxy-1H-indol-3-yl)pyrrole-2,5-dione
CID 22409598
3-[1-[3-(dimethylamino)propyl]-6,7-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409410
3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409435
3-[5-bromo-1-[3-(dimethylamino)-2-hydroxypropyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409298

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22409400) is 3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is COc1ccc2c(c(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)cn2CC(O)CO)c1OC.
What is the InChIKey of 3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is ARFRNWLBPGHKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O6/c1-33-19-8-7-18-20(23(19)34-2)16(11-28(18)10-13(30)12-29)22-21(24(31)27-25(22)32)15-9-26-17-6-4-3-5-14(15)17/h3-9,11,13,26,29-30H,10,12H2,1-2H3,(H,27,31,32).
What are the key properties of 3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 461.47 g/mol, XLogP of 2.06, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydroxypropyl)-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22409400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).