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

C25H24N4O3 — CID 22410625

IUPAC3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
SMILESCNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cc(OC)ccc21
InChIInChI=1S/C25H24N4O3/c1-26-10-5-11-29-14-19(17-12-15(32-2)8-9-21(17)29)23-22(24(30)28-25(23)31)18-13-27-20-7-4-3-6-16(18)20/h3-4,6-9,12-14,26-27H,5,10-11H2,1-2H3,(H,28,30,31)
InChIKeyHKCPTGLTNOJVSM-UHFFFAOYSA-N
MW428.49 g/mol
LogP3.31
Rot. Bonds7

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

3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione (PubChem CID 22410625) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
PubChem CID22410625
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione
SMILESCNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cc(OC)ccc21
InChIInChI=1S/C25H24N4O3/c1-26-10-5-11-29-14-19(17-12-15(32-2)8-9-21(17)29)23-22(24(30)28-25(23)31)18-13-27-20-7-4-3-6-16(18)20/h3-4,6-9,12-14,26-27H,5,10-11H2,1-2H3,(H,28,30,31)
InChIKeyHKCPTGLTNOJVSM-UHFFFAOYSA-N
XLogP3.31
TPSA88.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 53.31
H-Bond Donors ≤ 53
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-(1H-indol-3-yl)-4-[5-methoxy-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione
CID 15106759
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-butyl-5-methoxyindol-3-yl)-4-(1H-indol-3-yl)pyrrole-2,5-dione;ethanimidamide
CID 145482206
3-[1-[3-(dimethylamino)-2-methoxypropyl]-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410145
3-[1-[3-(dimethylamino)propyl]indol-3-yl]-4-[1-[3-(dimethylamino)propyl]-5-methoxyindol-3-yl]pyrrole-2,5-dione
CID 25028895
3-[1-[3-(ethylamino)propyl]-5-nitroindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22410496
3-[1-(3-aminopropyl)indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 16760314
3-(1H-indol-3-yl)-4-[1-[3-(methylamino)propyl]-7-(trifluoromethyl)indol-3-yl]pyrrole-2,5-dione
CID 22410411
3-[1-[3-(methylamino)propyl]indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione;hydrochloride
CID 18780255
5-[1-(2-hydroxyethyl)-5-methoxyindol-3-yl]-4-(1H-indol-3-yl)-6H-oxazin-3-one
CID 71054630
3-[1-(3-hydroxypropyl)-5-methylsulfanylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione
CID 22409210

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione?
The IUPAC name of 3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione (CID 22410625) is 3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione.
What is the SMILES notation for 3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione?
The canonical SMILES for 3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione is CNCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2cc(OC)ccc21.
What is the InChIKey of 3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione?
The InChIKey is HKCPTGLTNOJVSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-26-10-5-11-29-14-19(17-12-15(32-2)8-9-21(17)29)23-22(24(30)28-25(23)31)18-13-27-20-7-4-3-6-16(18)20/h3-4,6-9,12-14,26-27H,5,10-11H2,1-2H3,(H,28,30,31).
What are the key properties of 3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione?
3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione has a molecular weight of 428.49 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-4-[5-methoxy-1-[3-(methylamino)propyl]indol-3-yl]pyrrole-2,5-dione is sourced from PubChem (CID 22410625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).