3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione

C24H20FN3O4 — CID 175183808

IUPAC3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione
SMILESCCn1cc(C2=C(c3cn(CO)c4cc(F)ccc34)C(=O)N(CO)C2=O)c2ccccc21
InChIInChI=1S/C24H20FN3O4/c1-2-26-10-17(15-5-3-4-6-19(15)26)21-22(24(32)28(13-30)23(21)31)18-11-27(12-29)20-9-14(25)7-8-16(18)20/h3-11,29-30H,2,12-13H2,1H3
InChIKeyQVVAPQZRGQDGDC-UHFFFAOYSA-N
MW433.44 g/mol
LogP2.93
Rot. Bonds5

About 3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione

3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione (PubChem CID 175183808) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is 3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione
PubChem CID175183808
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC Name3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione
SMILESCCn1cc(C2=C(c3cn(CO)c4cc(F)ccc34)C(=O)N(CO)C2=O)c2ccccc21
InChIInChI=1S/C24H20FN3O4/c1-2-26-10-17(15-5-3-4-6-19(15)26)21-22(24(32)28(13-30)23(21)31)18-11-27(12-29)20-9-14(25)7-8-16(18)20/h3-11,29-30H,2,12-13H2,1H3
InChIKeyQVVAPQZRGQDGDC-UHFFFAOYSA-N
XLogP2.93
TPSA87.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(6-chloro-1H-indol-3-yl)-4-(1-ethylindol-3-yl)-1-(hydroxymethyl)pyrrole-2,5-dione
CID 175183271
3-(4-bromo-1-ethylindol-3-yl)-4-[4-bromo-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione
CID 137393229
3-[6-fluoro-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410487
2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetic acid
CID 115073448
(1-ethyl-6-fluoroindol-3-yl)methanethiol
CID 117179129
N-benzyl-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850863
3,4-bis[1-(2-chloroethyl)indol-3-yl]-1-methylpyrrole-2,5-dione
CID 23529129
1-ethyl-4-ethylimino-7-fluoroquinoline-3-carboxylic acid
CID 10682892
5-(1-ethylindol-3-yl)-1,2-oxazole-3-carboxylic acid
CID 15958515
1-benzyl-3-(1-pentylindol-3-yl)-4-(1-propylindol-3-yl)pyrrole-2,5-dione
CID 11409976
ethyl 2-amino-2-(1-ethyl-6-fluoroindol-3-yl)acetate
CID 115073283
(3-methylindol-1-yl)methanol
CID 54090827

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione?
The IUPAC name of 3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione (CID 175183808) is 3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione is CCn1cc(C2=C(c3cn(CO)c4cc(F)ccc34)C(=O)N(CO)C2=O)c2ccccc21.
What is the InChIKey of 3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione?
The InChIKey is QVVAPQZRGQDGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-2-26-10-17(15-5-3-4-6-19(15)26)21-22(24(32)28(13-30)23(21)31)18-11-27(12-29)20-9-14(25)7-8-16(18)20/h3-11,29-30H,2,12-13H2,1H3.
What are the key properties of 3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione?
3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione has a molecular weight of 433.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylindol-3-yl)-4-[6-fluoro-1-(hydroxymethyl)indol-3-yl]-1-(hydroxymethyl)pyrrole-2,5-dione is sourced from PubChem (CID 175183808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).