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

C23H19N3O4 — CID 22409658

IUPAC3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3cccc(O)c23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C23H19N3O4/c27-10-4-9-26-12-15(19-17(26)7-3-8-18(19)28)21-20(22(29)25-23(21)30)14-11-24-16-6-2-1-5-13(14)16/h1-3,5-8,11-12,24,27-28H,4,9-10H2,(H,25,29,30)
InChIKeyXTLYURWMNIXHLV-UHFFFAOYSA-N
MW401.42 g/mol
LogP2.78
Rot. Bonds5

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

3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22409658) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is 3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22409658
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2cn(CCCO)c3cccc(O)c23)=C1c1c[nH]c2ccccc12
InChIInChI=1S/C23H19N3O4/c27-10-4-9-26-12-15(19-17(26)7-3-8-18(19)28)21-20(22(29)25-23(21)30)14-11-24-16-6-2-1-5-13(14)16/h1-3,5-8,11-12,24,27-28H,4,9-10H2,(H,25,29,30)
InChIKeyXTLYURWMNIXHLV-UHFFFAOYSA-N
XLogP2.78
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-hydroxy-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate
CID 22409723
3-[6-fluoro-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410487
3-[1-(3-hydroxypropyl)-5-methylsulfanylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409210
3-[1-[3-(ethylamino)propyl]-4-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410114
3-[4-amino-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate
CID 22409935
3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409286
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
3-[4-chloro-1-[3-(ethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409232
3-[4-bromo-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl carbamimidothioate
CID 22409561
3-[1-[2-(dimethylamino)ethyl]-4-fluoroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410454
3-(1H-indol-3-yl)-4-[1-(3-isothiocyanatopropyl)-4-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione
CID 22409601
3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410023

Frequently Asked Questions

What is the IUPAC name of 3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22409658) is 3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is O=C1NC(=O)C(c2cn(CCCO)c3cccc(O)c23)=C1c1c[nH]c2ccccc12.
What is the InChIKey of 3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is XTLYURWMNIXHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-10-4-9-26-12-15(19-17(26)7-3-8-18(19)28)21-20(22(29)25-23(21)30)14-11-24-16-6-2-1-5-13(14)16/h1-3,5-8,11-12,24,27-28H,4,9-10H2,(H,25,29,30).
What are the key properties of 3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 401.42 g/mol, XLogP of 2.78, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22409658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).