3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

C25H23N3O3 — CID 5327930

IUPAC3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(CCCCO)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C25H23N3O3/c1-27-14-18(16-8-2-4-10-20(16)27)22-23(25(31)26-24(22)30)19-15-28(12-6-7-13-29)21-11-5-3-9-17(19)21/h2-5,8-11,14-15,29H,6-7,12-13H2,1H3,(H,26,30,31)
InChIKeyDIBQJDJFXJGVJC-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.47
Rot. Bonds6

About 3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione

3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327930) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327930
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(CCCCO)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C25H23N3O3/c1-27-14-18(16-8-2-4-10-20(16)27)22-23(25(31)26-24(22)30)19-15-28(12-6-7-13-29)21-11-5-3-9-17(19)21/h2-5,8-11,14-15,29H,6-7,12-13H2,1H3,(H,26,30,31)
InChIKeyDIBQJDJFXJGVJC-UHFFFAOYSA-N
XLogP3.47
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-aminobutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 5327933
3-(1-methylindol-3-yl)-4-[1-(3-sulfanylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 18780279
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780242
3-[1-[3-(methylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780255
3,4-bis(1-dodecylindol-3-yl)pyrrole-2,5-dione
CID 139200953
3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl ethanimidothioate
CID 90065578
N-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]benzenesulfonamide
CID 18780314
3,4-bis[1-(3-hydroxypropyl)indol-3-yl]pyrrole-2,5-dione;3,4-bis(1H-indol-2-yl)pyrrole-2,5-dione
CID 70210567
3-[1-(3,7-diamino-4-oxooctyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
CID 139688082
(2S)-2-amino-N-[3-amino-5-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]-2-oxopentyl]propanamide
CID 139688088
3-[1-(3-hydroxypropyl)indol-3-yl]-4-imidazo[1,2-a]pyridin-5-ylpyrrole-2,5-dione
CID 69374015
tert-butyl N-[(2S)-1-[[(2S)-3-hydroxy-1-[3-[3-[4-(1-methylindol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propylamino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 67810529

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327930) is 3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(CCCCO)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is DIBQJDJFXJGVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-27-14-18(16-8-2-4-10-20(16)27)22-23(25(31)26-24(22)30)19-15-28(12-6-7-13-29)21-11-5-3-9-17(19)21/h2-5,8-11,14-15,29H,6-7,12-13H2,1H3,(H,26,30,31).
What are the key properties of 3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 413.48 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-hydroxybutyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).