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

C26H26N4O2 — CID 5327934

IUPAC3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(CCCCCN)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H26N4O2/c1-29-15-19(17-9-3-5-11-21(17)29)23-24(26(32)28-25(23)31)20-16-30(14-8-2-7-13-27)22-12-6-4-10-18(20)22/h3-6,9-12,15-16H,2,7-8,13-14,27H2,1H3,(H,28,31,32)
InChIKeyMNDVTEUMTAQQKL-UHFFFAOYSA-N
MW426.52 g/mol
LogP3.83
Rot. Bonds7

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

3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (PubChem CID 5327934) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
PubChem CID5327934
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione
SMILESCn1cc(C2=C(c3cn(CCCCCN)c4ccccc34)C(=O)NC2=O)c2ccccc21
InChIInChI=1S/C26H26N4O2/c1-29-15-19(17-9-3-5-11-21(17)29)23-24(26(32)28-25(23)31)20-16-30(14-8-2-7-13-27)22-12-6-4-10-18(20)22/h3-6,9-12,15-16H,2,7-8,13-14,27H2,1H3,(H,28,31,32)
InChIKeyMNDVTEUMTAQQKL-UHFFFAOYSA-N
XLogP3.83
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 53.83
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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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The IUPAC name of 3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione (CID 5327934) is 3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione.
What is the SMILES notation for 3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The canonical SMILES for 3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is Cn1cc(C2=C(c3cn(CCCCCN)c4ccccc34)C(=O)NC2=O)c2ccccc21.
What is the InChIKey of 3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
The InChIKey is MNDVTEUMTAQQKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-29-15-19(17-9-3-5-11-21(17)29)23-24(26(32)28-25(23)31)20-16-30(14-8-2-7-13-27)22-12-6-4-10-18(20)22/h3-6,9-12,15-16H,2,7-8,13-14,27H2,1H3,(H,28,31,32).
What are the key properties of 3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione?
3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione has a molecular weight of 426.52 g/mol, XLogP of 3.83, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-aminopentyl)indol-3-yl]-4-(1-methylindol-3-yl)pyrrole-2,5-dione is sourced from PubChem (CID 5327934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).