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

C25H23N5O4 — CID 22410496

IUPAC3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C25H23N5O4/c1-2-26-10-5-11-29-14-19(17-12-15(30(33)34)8-9-21(17)29)23-22(24(31)28-25(23)32)18-13-27-20-7-4-3-6-16(18)20/h3-4,6-9,12-14,26-27H,2,5,10-11H2,1H3,(H,28,31,32)
InChIKeyFTZUVYMUBXZQMW-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.60
Rot. Bonds8

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

3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (PubChem CID 22410496) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is 3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
PubChem CID22410496
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC Name3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
SMILESCCNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C25H23N5O4/c1-2-26-10-5-11-29-14-19(17-12-15(30(33)34)8-9-21(17)29)23-22(24(31)28-25(23)32)18-13-27-20-7-4-3-6-16(18)20/h3-4,6-9,12-14,26-27H,2,5,10-11H2,1H3,(H,28,31,32)
InChIKeyFTZUVYMUBXZQMW-UHFFFAOYSA-N
XLogP3.60
TPSA122.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[5-(dimethylamino)-1-[3-(ethylamino)propyl]indol-3-yl]-4-[5-(dimethylamino)-1H-indol-3-yl]pyrrole-2,5-dione
CID 22409690
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-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410625
3-(1H-indol-3-yl)-4-[6-methyl-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
CID 22410599
3-[6-hydroxy-1-[3-(methylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410250
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
3-[1-(3-hydroxypropyl)-5-methylsulfanylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409210
2-[3-[5-bromo-3-[4-(1H-indol-3-yl)-2,5-dioxopyrrol-3-yl]indol-1-yl]propyl]-1-nitroguanidine
CID 22409989
3-[1-(2-aminoethyl)-5-hydroxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410386
3-[5-bromo-1-[2-(dimethylamino)ethyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409275
3-[1-(3-aminopropyl)-5-(trifluoromethyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410266

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione (CID 22410496) is 3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is CCNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
The InChIKey is FTZUVYMUBXZQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-2-26-10-5-11-29-14-19(17-12-15(30(33)34)8-9-21(17)29)23-22(24(31)28-25(23)32)18-13-27-20-7-4-3-6-16(18)20/h3-4,6-9,12-14,26-27H,2,5,10-11H2,1H3,(H,28,31,32).
What are the key properties of 3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione?
3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione has a molecular weight of 457.49 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 22410496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).