3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

C26H25N5O4 — CID 22410023

IUPAC3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCN(CC)CCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2c([N+](=O)[O-])cccc21
InChIInChI=1S/C26H25N5O4/c1-3-29(4-2)12-13-30-15-18(22-20(30)10-7-11-21(22)31(34)35)24-23(25(32)28-26(24)33)17-14-27-19-9-6-5-8-16(17)19/h5-11,14-15,27H,3-4,12-13H2,1-2H3,(H,28,32,33)
InChIKeyFZJMPJSHVASOGJ-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.94
Rot. Bonds8

About 3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22410023) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is 3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22410023
Molecular FormulaC26H25N5O4
Molecular Weight471.52 g/mol
Exact Mass471.19
IUPAC Name3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCN(CC)CCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2c([N+](=O)[O-])cccc21
InChIInChI=1S/C26H25N5O4/c1-3-29(4-2)12-13-30-15-18(22-20(30)10-7-11-21(22)31(34)35)24-23(25(32)28-26(24)33)17-14-27-19-9-6-5-8-16(17)19/h5-11,14-15,27H,3-4,12-13H2,1-2H3,(H,28,32,33)
InChIKeyFZJMPJSHVASOGJ-UHFFFAOYSA-N
XLogP3.94
TPSA113.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[1-[3-(diethylamino)propyl]-4-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409474
3-[1-[2-(dimethylamino)ethyl]-4-fluoroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410454
3-[1-[3-(diethylamino)propyl]-4,5-dimethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409408
3-[1-(2-aminoethyl)-4-(dimethylamino)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409286
3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409435
3-[4-hydroxy-1-(3-hydroxypropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409658
3-[1-[3-(diethylamino)propyl]-6-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410556
3-[1-[3-(ethylamino)propyl]-4-methylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410114
3-[4-chloro-1-[3-(ethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409232
3-[1-[2-(diethylamino)ethyl]-5-fluoroindol-3-yl]-4-(5-fluoro-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410630
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-(diethylamino)propyl]-7-phenylmethoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409374

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22410023) is 3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is CCN(CC)CCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2c([N+](=O)[O-])cccc21.
What is the InChIKey of 3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is FZJMPJSHVASOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c1-3-29(4-2)12-13-30-15-18(22-20(30)10-7-11-21(22)31(34)35)24-23(25(32)28-26(24)33)17-14-27-19-9-6-5-8-16(17)19/h5-11,14-15,27H,3-4,12-13H2,1-2H3,(H,28,32,33).
What are the key properties of 3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 471.52 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(diethylamino)ethyl]-4-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22410023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).